ALBERT

Beschreibung: ASEAN - Improving Environmental Governance and Access to Justice (Amado S. Tolentino Jr) 95 APCEL / MFA - Urban and Industrial Environmental Management "The Singapore Model" (Koh Kheng-Lian) 102 Content Type Journal Article Pages 95-103 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 2 / 2011

Beschreibung: Brazil - The Belo Monte Dam Case (Patricia Galindo da Fonseca and Antoine Bourgoignie) 104 Content Type Journal Article Pages 104-107 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 2 / 2011

Beschreibung: IRENA / PrepCom-5 / Assembly-1 - Inaugural Meeting of IRENA Assembly 94 Content Type Journal Article Pages 94-94 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 2 / 2011

Beschreibung: UNEP GC-26 / GMEF - A Complex Session (Donald Kaniaru) 56 CSD - PrepComs Meet (Ann Powers) 58 ITLOS / Case No. 17 - Seabed Mining "Advisory Opinion on Responsibility and Liability" (Donald K. Anton, Robert A. Makgill and Cymie R. Payne) 60 ICJ - Costa Rica v. Nicaragua "Provisional Relief Granted" 66 ILC - Impact of Conflict on Treaties "An Environmental Perspective" 67 IDDRI - Implications of the Nagoya Protocol (Mireille Jardin and Claudio Chiarolla) 70 ITPGRFA / GB-4 - The Treaty's Role Following Nagoya 71 ITPGRFA - Compliance "Procedures and Operational Mechanisms" (Elsa Tsioumani) 74 UNFF-9 - Sustainable Forest Management (Elisa Morgera) 74 UN Year of Forests - Sustainable Forest Management Tools "National Legal Frameworks since 1992" (Patrice Talla Takoukam) 77 UNCCD / CRIC-9 - Progress in Operations (Soledad Aguilar) 89 COFI-29 - Bycatch, Aquaculture Certification and Ecolabelling "New Guidelines Adopted" (Elisa Morgera) 91 Content Type Journal Article Pages 56-93 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 2 / 2011

Beschreibung: Content Type Journal Article Pages 108-109 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 2 / 2011

Beschreibung: The possibility of condensation of electron pairs has been established by Yang and Coleman. Recent observations of Bose-Einstein condensate (BEC) of alkali atoms, containing odd number of electrons, require some explanation, which also must be based on a correct permutational symmetry of a system, containing different types of fermions. In the framework of the same reduced density matrix formalism, it is proved that aggregates (atoms), containing even number 2f of fermions, can be condensed only in a mixed quantum state in contrast to elementary bosons because a natural occupation number λ is proved to be strictly smaller than their total sum. If fermions are absent in aggregates the reduction of sum of λ to one term becomes possible. The upper bound λ_{max} for a macroscopic ensemble of n aggregates, built of m different sorts of fermions is shown to be m^1[((2f-1)!!)^3 A/(2f)!!B]^{1/2} where A is the number of all possible aggregates in a system, B is the number of ways to form a given composition of an aggregate from 2f-fermions of m sorts; n is a macroscopic greatest common devisor of fermion numbers of all sorts. The bound λ_{max} increases as n^{f}, while sum of λ grows as n^{2f}. The evenness of the total number of fermions 2f in an aggregate is a necessary and sufficient condition for BEC formation. In particular, the number N of neutrons in neutral atom must be even because of the integrity of f=Z+N/2. The extreme type wave function is built, for which λ is arbitrary close to n^{f} that proves the sufficiency of this criterion. The occupation maximum is achieved when pairs of fermions (identical or different) are condensed independently. The possibility of condensation of bound aggregates only (atoms) is shown arising from nonoverlapping of wave functions of electron relative coordinates of different atoms. This conclusion is based on separation of the centers' of mass motion, which are proved behaving like a bosonic gas. The remaining product of identical atomic wave functions of relative coordinates, which determine main properties of condensate ingredients, is shown not requiring further antisymmetrization that makes condensation possible. Content Type Journal Article Pages 127-142 DOI 10.3233/JCM-2011-0370 Authors M. Mestechkin, 12773 Seabreeze Farms Dr. # 33, San Diego, CA 92130, USA. E-mail: mestechkinmm@gmail.com Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 3 / 2011

Beschreibung: The present work consists to elaborate a computing program able to generate a Delaunay unstructured triangular meshes around the complex configurations applied in aerodynamics, like airfoil of aircraft, multi-elements airfoils, nacelle, fuselage, etc... While basing on the Delaunay criterion, again called 'in-circle criterion' of the hollow circle that means no point is inside a circle circumscribes a triangle of the mesh. The initial mesh can be set up by joining the trailing-edge point of the airfoil to all the outer boundary points, the surface mesh points for the airfoil are then introduced one at a time, and the internal nodes of the O-mesh generated by using a sequence of conformal transformation of Von Karman Trefftz through the whole domain of the out-flow. Each time a new point is introduced, the triangles failing the 'Delaunay criterion' are located using the tree-search algorithm, forming a convex cavity named 'Delaunay cavity'. These triangles will be broken and will be replaced by new triangles while connecting this new point to each of the points at vertices of this cavity. This generated a new triangulation and the algorithm repeats this process with the next new point until succeed to a Delaunay mesh. A Laplacian filter is used to reposition the mesh points in order to have a regular mesh clever to be exploited by the numerical methods: finite volume method or finite element method. Content Type Journal Article Pages 143-158 DOI 10.3233/JCM-2011-0372 Authors Toufik Zebbiche, University SAAD Dahleb of Blida, BP 270, Blida 09000, Algeria Nasreddine Hamdi, University Amar TELIDJI of Laggouat, BP 37, Lagouat 03000, Algeria Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 3 / 2011

Beschreibung: The aim of this paper is, in accordance with efficient web search service operation objectives, to propose enhancements to the sophistication of the functionality that can be offered by search engine services. A meta-search third-party result ranking mechanism is proposed, which is capable of adapting over the continuous changes that occur on the web, providing in parallel personalized information acquisition considering the user's navigation behaviour. Transparency is achieved for both personalization and web evolution adaptation mechanisms, requiring virtually none effort from the user's part. In essence, the proposed meta search engine rates, re-organises and combines the results acquired from search services for a specific user information resource request in accordance with a weighted combination of a performance related factor (tightly related to the ranking of the web result as given by the search engine service) and a reliability related factor (corresponding to the user satisfaction stemming from the specific web result that he/she browses), while the performance of each search engine with respect to adequately adapting to the web evolution is taken into account. For the evaluation of the web results reliability, a collaborative reputation mechanism is utilized, which helps estimating their quality and predicting their future usability, taking into account their past performance in consistently satisfying user expectations. A set of results indicative of the efficiency of our proposed scheme is provided. The Internet search services used were Google, MSN and Yahoo! Content Type Journal Article Pages 109-124 DOI 10.3233/JCM-2011-0368 Authors Malamati Louta, University of Western Macedonia, Department of Informatics and Telecommunications Engineering, Kozani, Greece Ioannis Anagnostopoulos, University of Central Greece, Department of Computer Science and Biomedical Informatics, Lamia, Greece Ilias Maglogiannis, University of Central Greece, Department of Computer Science and Biomedical Informatics, Lamia, Greece Angelos Michalas, Technological Educational Institute of Western Macedonia, Department of Informatics and Computer Technology GR-52100, Kastoria, Greece Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 3 / 2011

Beschreibung: 'Motion' and intention that are involved in the perception of musical structure combined with mirror neuron (MN) system activation are studied in this article. The mechanism of MN involved in the perception of musical structures is seen as a means for cueing the learner on `known' factors that can be used for his/her knowledge scaffolding. To explore such relationships, EEG recordings, and especially the Mu-rhythm in the premotor cortex that relates to the activation of MN, were acquired and explored. Three experiments were designed to provide the auditory and visual stimuli to a group of subjects, including both musicians and non-musicians. The acquired signals, after appropriate averaging in the time domain, were analyzed in frequency and bifrequency domains, using spectral and bispectral analysis, respectively. Experimental results have shown that an intention – related activity shown in musicians could be associated with Mu – rhythm suppression. Moreover, an underlying ongoing function appearing in the transition from heard sound to imagined sound could be revealed in the bispectrum domain. A Mu-rhythm modulation provoked by the MNs could cause bispectral fluctuations, especially when visual stimulation is combined with an auditory one for the case of musicians. These results pave the way for further exploitation of the role of MNs in music and, in general, knowledge perception. Content Type Journal Article Pages 91-107 DOI 10.3233/JCM-2011-0367 Authors Panagiotis Doulgeris, Aristotle University of Thessaloniki, Faculty of Technology, Department of Electrical and Computer Engineering, GR – 541 24, Thessaloniki, Greece Stelios Hadjidimitriou, Aristotle University of Thessaloniki, Faculty of Technology, Department of Electrical and Computer Engineering, GR – 541 24, Thessaloniki, Greece Konstantinos Panoulas, Aristotle University of Thessaloniki, Faculty of Technology, Department of Electrical and Computer Engineering, GR – 541 24, Thessaloniki, Greece Leontios Hadjileontiadis, Aristotle University of Thessaloniki, Faculty of Technology, Department of Electrical and Computer Engineering, GR – 541 24, Thessaloniki, Greece Stavros Panas, Aristotle University of Thessaloniki, Faculty of Technology, Department of Electrical and Computer Engineering, GR – 541 24, Thessaloniki, Greece Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 3 / 2011

Beschreibung: Content Type Journal Article Category Preface Pages 89-90 DOI 10.3233/JCM-2011-0366 Authors Dimitris Kanellopoulos Sotiris Kotsiantis Panagiotis Pintelas Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 3 / 2011

Beschreibung: The carbon nanotubes have attracted much interest for their electronic properties which go from metallic to semiconducting behavior, depending both on diameter, number of layers and chirality. The value of their band gap is obviously a crucial point to be addressed because it enters in the nanbotube application as microelectronic devices. This work was developed through an estimate of the behavior of the electronic structure of carbon nanotubes of single walled (8,0) and the assessment of electrical conduction through various methodologies such as LSDA, B3PW91, B3LYP and HF ab initio methods and PM3 and AM1semi-empirical methods. The methods showed similarities with the geometrical parameters reported in the literature. The hybrid methods based on density functional generated a good approximation in the energy gap value of single-walled carbon nanotubes (8,0). Results will be presented. Content Type Journal Article Pages 381-387 DOI 10.3233/JCM-2012-0426 Authors R. López-Planes, Laboratorio De Metales, Departamento de Física, Escuela de Ciencias, Universidad de Oriente, Apartado postal 245, Cumaná, Venezuela S. Dasilva, Laboratorio De Metales, Departamento de Física, Escuela de Ciencias, Universidad de Oriente, Apartado postal 245, Cumaná, Venezuela Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 12 Journal Issue Volume 12, Number 4-6 / 2012

Beschreibung: Quantum chemistry calculations were done, using the ONIOM2 methodology at two different levels of calculation, B3LYP for the high level and UFF for the low level. These calculations were performed on Au_{3}/SAPO-11, Au_{4}/SAPO-11, CO-Au_{3}/SAPO-11 and CO-Au_{4}/SAPO-11 aggregates to analyze the geometries of small clusters of Au_{3} and Au_{4} on SAPO-11 support. Au_{3} cluster present a triangle structure in Au_{3}/SAPO-11. Au_{4 } cluster shows a "Y shaped" structure in Au_{4}/SAPO-11. Au_{4} as a rhombus structure is also studied but it is an unstable intermediate to the "Y shaped" structure. The CO interaction with Au_{3} and Au_{4}/SAPO-11 is studied, this CO adsorption is different from reported in the literature. The formation energy Δ E_{F} of the aggregates and the CO adsorption energy ΔE_{ads} on them are presented. Content Type Journal Article Pages 389-394 DOI 10.3233/JCM-2012-0427 Authors Beulah Griffe, Labs. Química Computacional y Fisicoquímica de Superficies, Centro de Química, Caracas, Venezuela Joaquín L. Brito, Labs. Química Computacional y Fisicoquímica de Superficies, Centro de Química, Caracas, Venezuela Anibal Sierraalta, Labs. Química Computacional y Fisicoquímica de Superficies, Centro de Química, Caracas, Venezuela Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 12 Journal Issue Volume 12, Number 4-6 / 2012

Beschreibung: In this paper, we recall the mutation of the Minkowski spacetime for empty space into the covering isospacetime caused by physical media; we recall its experimental verifications via the isoredshift of laser light in a metal pipe containing air at pressure, as well as additional experimental verifications in other fields; and we present, apparently for the first time, experimental confirmations of Santilli's 1991 prediction of the isoredshift as the primary origin of the redness of direct Sunlight at Sunset and Sunrise without any appreciable relative motion between Earth and Sun, said isoredshift being proportional to the distance traveled by Sunlight in air. Absorption is dismissed as a source of said redness of the Sun because air predominantly absorbs red, as experimentally established, without dismissing minor contributions, e.g., for the shape (but not the shift) of wavelengths. The widely accepted conjecture that scattering is the origin of said redness of the Sun, without dismissing minor contributions, is shown to be inapplicable for direct Sunlight, to have no representational capability for the needed very large shifts (measured up to 200 nm), and to have been dismissed experimentally at the cosmological level with recent measurements via Hubble's telescope, as well as on Earth by recent scattering measurements by some of us. Since intergalactic spaces are far from being empty, and physical laws must be the same throughout the universe, the preceding experimental results are shown to be evidence for the absence of the expansion of the universe, the absence of the acceleration of the expansion, the absence of the big bang, and the elimination of the far reaching conjecture that space itself is expanding as needed, from Hubble's law, to prevent a return to the Middle Ages with Earth at the center of the universe. It is finally shown that the same experimental confirmations of Santilli isoredshift imply the absence of dark matter and dark energy since the universe is nowhere empty, with consequential universal validity of Santilli isospacetime and its Lorentz-Poincaré-Santilli isosymmetry. Content Type Journal Article Pages 141-168 DOI 10.3233/JCM-2012-0409 Authors R.M. Santilli, Magnegas Corporation, Tarpon Springs, FL, USA G. West, Magnegas Corporation, Tarpon Springs, FL, USA G. Amato, Magnegas Corporation, Tarpon Springs, FL, USA Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 12 Journal Issue Volume 12, Number 3 / 2012

Beschreibung: In this publication, we study the supersonic flow around a pointed airfoil in free air. The work is to develop a numerical calculation program using the relations of oblique shock waves; and Prandtl Meyer expansion of constant specific heats around a wedge to determine the characteristics of pointed airfoil in supersonic steady. This regime is characterized by the emergence of a shock wave, usually weak, which will be attached to the leading edge of the airfoil if it has a pointed shape. The airfoil is discretized into flat plate's juxtaposed one to another. It should be noted that the flow is two dimensional. In the place where there is concavity of the wall there will be shock waves and in an other place where there is convexity of the wall there will be an expansion of the flow. The latter type is of Prandtl Meyer. The flow is characterized by increases of entropy seen that there appears a shock wave. The drag is not zero. It is equal to the drag of the shock wave even though the flow is inviscid. We neglect the other components of the drag. Most authors prefer the use of the thin airfoil theory to evaluate the flow around an airfoil. A Comparison is made with this theory for thin thickness to determine a limit of applications of this theory. Applications are made for moderate thickness. The substance chosen is air. Content Type Journal Article Pages 213-233 DOI 10.3233/JCM-2012-0398 Authors Toufik Zebbiche, University SAAD Dahleb of Blida, BP, Blida, Algeria Merouane Salhi, University SAAD Dahleb of Blida, BP, Blida, Algeria Mohamed Boun-djad, University SAAD Dahleb of Blida, BP, Blida, Algeria Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 12 Journal Issue Volume 12, Number 3 / 2012

Beschreibung: This work introduces the third instalment in a series of papers, i.e. the EAS3 multistep approach. In this work we present, for the first time in a journal article, the EAS3 methods, which are part of the explicit advanced step-point (EAS) family of methods. The EAS formulae comprise three distinct schemes: EAS1, EAS2 and EAS3. In this paper we consider the EAS3 methods, which represent a substantial departure compared to EAS1 and EAS2. Here the EAS3 are studied and their superior regions of absolute stability are presented. Content Type Journal Article Pages 201-210 DOI 10.3233/JCM-2012-0399 Authors G. Psihoyios, Laboratory of Computational Science, Department of Computer Science and Technology, University of Peloponnesos, Tripolis, Greece. E-mail: g.psihoyios@gmail.com Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 12 Journal Issue Volume 12, Number 3 / 2012

Beschreibung: While stressing the need for additional independent verifications, in this paper we provide: 1) Confirmatory measurements of Santilli's 1991 hypothesis of the anomalous IsoRedShift (IRS) for the propagation of a blue laser light in a 60 ft ≈ 18 m long steel pipe containing air at a maximum of 70°F ≈ 21°C and at 2,000 psi ≈ 137 bars without any relative motion between the source, the medium and the analyzer; 2) Confirmatory measurements of Santilli's 1991 hypothesis of the anomalous IsoBlueShift (IBS) for a blue laser light in the same conditions as above except for air being at a minimum of 130°F ≈ 54°C; 3) Experimental evidence on the transition from IRS to IBS with the increase of the temperature, thus confirming Santilli's NoIsoShift (NIS); 4) Measurements showing no frequency shift for a blue laser light reflected on a polished metal mirror at temperatures ranging from 70°F ≈ 21°C to 280°F ≈ 137°C, with consequential apparent absence of frequency shift for the scattering of light in a gas, since the Boltzman distribution apparently implies no frequency shift for light scattering in a gas due to relative motions averaged down to zero; and 5) Consequential confirmation of Santilli's 1991 hypothesis that the large difference in cosmological redshift between certain quasars and associated galaxies when physically connected via clear gamma spectroscopic evidence, originates from largely different IRS in the dramatically different quasars chromospheres and innergalactic media. Cosmological and other implications of Santilli IRS, IBS and NIS are discussed by other contributions in these proceedings. Content Type Journal Article Pages 169-188 DOI 10.3233/JCM-2012-0410 Authors Gene West, Magnegas Corporation, Tarpon Springs, FL, USA Gino Amato, Magnegas Corporation, Tarpon Springs, FL, USA Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 12 Journal Issue Volume 12, Number 3 / 2012

Beschreibung: This paper studies the law of the Lie algebras \frak{h}_n associated with a particular type of Lie groups: the Lie groups H_n formed by all the n × n upper-triangular matrices without zeros in their main diagonal. Indeed, these laws are obtained by means of a computational algorithm which we have constructed and particularly implemented by using the symbolic computation package MAPLE. Besides, the complexity of this algorithm is studied by considering the number of computations carried out with this implementation. Content Type Journal Article Pages 189-198 DOI 10.3233/JCM-2012-0397 Authors J.C. Benjumea, Dpto. Geometría y Topología, Facultad de Matemáticas, Universidad de Sevilla, Sevilla, Spain M.D. Morales, Dpto. Geometría y Topología, Facultad de Matemáticas, Universidad de Sevilla, Sevilla, Spain J. Núñez, Dpto. Geometría y Topología, Facultad de Matemáticas, Universidad de Sevilla, Sevilla, Spain A.F. Tenorio, Dpto. Métodos Cuantitativos, Escuela Politécnica Superior, Universidad Pablo de Olavide, Sevilla, Spain Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 12 Journal Issue Volume 12, Number 3 / 2012

Beschreibung: Most optimization problems rely heavily on simulations to evaluate design solutions according to a set of design criteria under stringent constraints. While an inverse problem may also rely on simulation-driven methods, it can sometimes be viewed more properly as a constrained optimization problem because the main aim of inversion is to find the best parameter estimates so as to minimize the differences between predicted results and observations. In this paper, we will take a unified approach to inversion and optimization. We use the latest cuckoo search to solve inverse problems and shape optimization in heat transfer applications. Simulation results show that cuckoo search is also very efficient for inversion. Content Type Journal Article Pages 129-137 DOI 10.3233/JCM-2012-0408 Authors Xin-She Yang, Mathematics and Scientific Computing, National Physical Laboratory, UK. Tel./Fax: +44 208 943 6092; E-mail: xin-she.yang@npl.co.uk Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 12 Journal Issue Volume 12, Number 1-2 / 2012

Beschreibung: Public environmental policy formulation can prove complicated when the various system components contain considerable elements of stochastic uncertainty. Invariably, there are unmodelled issues, not captured or apparent at the time a model is constructed, that can greatly impact the acceptability of its solutions. While a mathematically optimal solution may be the best solution to the modelled problem, it is frequently not the best solution for the underlying real problem. Consequently, it is generally preferable to create several good alternatives that provide very different approaches and perspectives to the same problem. This study shows how a computationally efficient simulation-driven optimization (SDO) approach that combines evolutionary optimization with simulation can be used to generate multiple policy alternatives that satisfy required system criteria and are maximally different in decision space. The efficacy of this stochastic modelling-to-generate-alternatives approach is demonstrated on a waste management planning case. Since SDO techniques can be adapted to model a wide variety of problem types in which system components are stochastic, the practicality of this approach can be extended into many other application areas containing significant sources of uncertainty. Content Type Journal Article Pages 111-127 DOI 10.3233/JCM-2012-0407 Authors Julian Scott Yeomans, OMIS Area, Schulich School of Business, York University, Toronto, ON, Canada. Tel.: +1 416 736 5074; Fax: +1 416 736 5687; E-mail: syeomans@schulich.yorku.ca Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 12 Journal Issue Volume 12, Number 1-2 / 2012

Beschreibung: Optimization is often used to perform model calibration, the process of inferring the values of model parameters so that the results of the simulations best match observed behavior. It can both improve the predictive capability of the model and curtail the loss of information caused by using a numerical model instead of the actual system. At its heart is the comparison of experimental data and simulation results. Complicating this comparison is the fact that both data sets contain uncertainties which must be quantified in order to make reasonable comparisons. Therefore, uncertainty quantification (UQ) techniques can be applied to identify, characterize, reduce, and, if possible, eliminate uncertainties. Incorporation of UQ into the calibration process can drastically improve the usefulness of computational models. Current approaches are serial approaches in that first, the calibration parameters are identified and then, a series of runs dedicated to UQ analysis is completed. Although this approach can be effective,it can be computationally expensive or produce incomplete results. Model analysis that takes advantage of intermediate optimization iterates can reduce the expense, but the sampling done by the optimization algorithms is not ideal. In this paper, we will review serial approaches and propose a joint calibration and UQ approach that combines Bayesian statistical models and derivative-free optimization in order to monitor sensitivity information throughout the calibration process. Content Type Journal Article Pages 99-110 DOI 10.3233/JCM-2012-0406 Authors Genetha A. Gray, Sandia National Laboratories, Livermore, CA, USA Herbert K.H. Lee, University of California, Santa Cruz, Santa Cruz, CA, USA John Guenther, University of California, Santa Cruz, Santa Cruz, CA, USA Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 12 Journal Issue Volume 12, Number 1-2 / 2012

Beschreibung: The space mapping technique aims at an efficient optimization of complex technical problems. Its success relies on the quality of the coarse model that might be deduced from either physical, algebraic or grid-based hierarchies of models. In this paper we perform a feasibility study for transport processes coming from the fields of fluid dynamics, semiconductors and radiation. We present appropriate model hierarchies and discuss the numerical performance. Space mapping shows to give very convincing suboptimal solutions to the actual fine model optimization regarding the balance of computational effort (speed and memory) and accuracy. Content Type Journal Article Pages 63-74 DOI 10.3233/JCM-2012-0404 Authors Nicole Marheineke, FAU Erlangen-Nürnberg, Lehrstuhl Angewandte Mathematik I, Erlangen, Germany René Pinnau, TU Kaiserslautern, Fachbereich Mathematik, Erwin-Schrödinger, Kaiserslautern, Germany Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 12 Journal Issue Volume 12, Number 1-2 / 2012

Beschreibung: Reliable and robust computational fluid dynamics (CFD) solvers are nowadays commonly utilized in the design and analyses of various engineering systems, such as aircraft, turbomachinery, ships, and automotives. Although this has resulted in a drastic decrease of the number of prototype and experimental testing, the use of CFD in the design automation process is still limited. In practice, the geometry parameters that ensure satisfaction of assumed performance requirements are often obtained by repetitive CFD simulations guided by engineering experience. This is a tedious process which does not guarantee optimal results. On the other hand, straightforward automation attempts by employing the CFD solvers directly in the optimization loop are typically impractical, even when using adjoint sensitivity information, because high-fidelity CFD simulations tend to be computationally very expensive. In this paper, we describe a surrogate-based design optimization methodology that shifts the computational burden from the accurate and expensive high-fidelity CFD model to its fast and yet reasonably accurate surrogate. As the surrogate models are computationally much cheaper than the high-fidelity ones, the cost of the design process is greatly reduced. Here, the surrogates are constructed using low-fidelity CFD models and response correction techniques. Application examples, involving the design of axisymmetric hulls in subsonic flow, and airfoils in both subsonic and transonic flows, are presented. Content Type Journal Article Pages 75-98 DOI 10.3233/JCM-2012-0405 Authors Slawomir Koziel, Engineering Optimization and Modeling Center, School of Science and Engineering, Reykjavik University, Reykjavik, Iceland Leifur Leifsson, Engineering Optimization and Modeling Center, School of Science and Engineering, Reykjavik University, Reykjavik, Iceland Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 12 Journal Issue Volume 12, Number 1-2 / 2012

Beschreibung: We present initial steps and first results of a surrogate-based optimization (SBO) approach for parameter optimization in climate models. In SBO, a computationally cheap, but yet reasonably accurate representation of the original high-fidelity (or fine) model, the so-called surrogate, replaces the fine model in the optimization process. We choose two representatives, namely two marine ecosystem models, to verify our approach. We present two ways to obtain a physics-based low-fidelity (or coarse) model, one based on a coarser time discretization, the other on an inaccurate fixed point iteration. Since in both cases, the low-fidelity model is less accurate, we use a multiplicative response correction technique, aligning the low- and the high-fidelity model output to obtain a reliable surrogate at the current iterate in the optimization process. We verify the approach by using model generated target data. We show that the proposed SBO method leads to a very satisfactory solution at the cost of a few evaluations of the high-fidelity model only. Content Type Journal Article Pages 47-62 DOI 10.3233/JCM-2012-0403 Authors M. Prieß, Institute for Computer Science, Cluster The Future Ocean, Christian-Albrechts Universität zu Kiel, Kiel, Germany J. Piwonski, Institute for Computer Science, Cluster The Future Ocean, Christian-Albrechts Universität zu Kiel, Kiel, Germany S. Koziel, Engineering Optimization and Modeling Center, School of Science and Engineering, Reykjavik University, Reykjavik, Iceland T. Slawig, Institute for Computer Science, Cluster The Future Ocean, Christian-Albrechts Universität zu Kiel, Kiel, Germany Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 12 Journal Issue Volume 12, Number 1-2 / 2012

Beschreibung: A popular approach to handling constraints in surrogate-based optimization is through the addition of penalty functions to an infill sampling criterion that seeks objective improvement. Typical sampling metrics, such as expected improvement tend to have multimodal landscapes and can be difficult to search. When the problem is transformed using a penalty approach the search can become riddled with cliffs and further increases the complexity of the landscape. Here we avoid searching this aggregated space by treating objective improvement and constraint satisfaction as separate goals, using multiobjective optimization. This approach is used to enhance the efficiency and reliability of infill sampling and shows some promising results. Further to this, by selecting model update points in close proximity to the constraint boundaries, the regions that are likely to contain the feasible optimum can be better modelled. The resulting enhanced probability of feasibility is used to encourage the exploitation of constraint boundaries. Content Type Journal Article Pages 25-45 DOI 10.3233/JCM-2012-0402 Authors James M. Parr, University of Southampton, Southampton, England, UK Alexander I. J. Forrester, University of Southampton, Southampton, England, UK Andy J. Keane, University of Southampton, Southampton, England, UK Carren M. E. Holden, Airbus Operations Ltd, Bristol, England, UK Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 12 Journal Issue Volume 12, Number 1-2 / 2012

Beschreibung: Radial basis functions (RBFs), among other techniques, are used to construct metamodels that approximate multi-objective expensive high-fidelity functions from a finite number of function evaluations (design of experiments, DoE). Radial basis functions can be applied if the DoE covers the parameter space in an arbitrary though uniform manner. Leave-one-out strategies allow for computing tolerance limits. The approximated value and a certain tolerance can be interpreted as expectation and variance of a random experiment. Thus, model improvement as described for Kriging models in the literature can in principal be applied to RBF-based metamodels, too. We describe our adaptive and hierarchical metamodelling approach that deals with the specific problems that such metamodel adaptions pose to RBF-based models. We also briefly discuss implementation details and first industrial test cases. Content Type Journal Article Pages 5-23 DOI 10.3233/JCM-2012-0401 Authors Georg van Bühren, Fraunhofer SCAI, Sankt Augustin, Germany Nils Hornung, Fraunhofer SCAI, Sankt Augustin, Germany Tanja Clees, Fraunhofer SCAI, Sankt Augustin, Germany Lialia Nikitina, Fraunhofer SCAI, Sankt Augustin, Germany Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 12 Journal Issue Volume 12, Number 1-2 / 2012

Beschreibung: Nigeria - The Making of a Climate Policy "Multi-Stakeholder Discourse" (Peter Koblowsky and Chinwe Ifejika Speranza) 130 Content Type Journal Article Pages 130-132 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 42 Journal Issue Volume 42, Number 2 / 2012

Beschreibung: UNEP GCSS-12 / GMEF - Brief Observations (Donald W. Kaniaru) 76 UN / GSP - Report on "A Future Worth Choosing" 80 CMS / COP-10 - The "Future Shape" of an Innovative Convention 82 UNFCCC - Durban: A Success or Failure? (Doaa Abdel Motaal) 85 UNCCD / COP-10 - Towards a Global Authority on Desertification andLand Degradation (Luc Gnacadja and Lindsay C. Stringer) 87 UNCLOS - Responsibilities and Obligations of Sponsoring States "ITLOS Advisory Opinion" (Pia Vromman) 90 UNESCO - Global Protected Area Programmes "An Overview" (Gianfranco Tamburelli) 96 Content Type Journal Article Pages 76-101 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 42 Journal Issue Volume 42, Number 2 / 2012

Beschreibung: Content Type Journal Article Pages 133-134 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 42 Journal Issue Volume 42, Number 2 / 2012

Beschreibung: International Environmental Dispute Settlement - Rio+20 and Beyond (Bharat H. Desai and Balraj Sidhu) 102 WTO - Focus on Food Security (Elsa Tsioumani) 117 IRENA - Highlights of the Second Assembly 119 Content Type Journal Article Pages 102-121 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 42 Journal Issue Volume 42, Number 2 / 2012

Beschreibung: UN / ECE / Water Convention - Transboundary Groundwater and Convention Implementation (Laura Covino-Kerpelman) 122 South China Sea - Control of Land Based Sources of Marine Pollution "A Regional Overview" (Part 1) "Daud Hassan" 124 Content Type Journal Article Pages 122-129 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 42 Journal Issue Volume 42, Number 2 / 2012

Beschreibung: Content Type Journal Article Category Introduction Pages 1-4 DOI 10.3233/JCM-2012-0400 Authors Slawomir Koziel, Engineering Optimization and Modeling Center, School of Science and Engineering, Reykjavik University, Reykjavik, Iceland Leifur Leifsson, Engineering Optimization and Modeling Center, School of Science and Engineering, Reykjavik University, Reykjavik, Iceland Xin-She Yang, Mathematics and Scientific Computing, National Physical Laboratory, Teddington, UK Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 12 Journal Issue Volume 12, Number 1-2 / 2012

Beschreibung: Slovenia - Drafting a Climate Change Act "Lessons Learned" (Jernej Stritih and Barbara Simonič) 46 France - The Right to Drinking Water "Making it More Effective" (Henri Smets) 50 USA - Reducing Illegal Wildlife Trafficking "CITES and Caviar" (Frances Douglas) 57 Sweden - Forest Invasive Species and Climate Change "EU and Swedish Regulatory Frameworks" (Maria Pettersson and E. Carina H. Keskitalo) 63 Content Type Journal Article Pages 46-73 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 42 Journal Issue Volume 42, Number 1 / 2012

Beschreibung: Content Type Journal Article Pages 73-74 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 42 Journal Issue Volume 42, Number 1 / 2012

Beschreibung: Kenya - Participatory Natural Resource Management "Policy and Institutional Framework" - Part I Matiku Paul Museng'ya, Mileri Caleb and Ogol Calestus 232 USA - Ozone Madness (Lisa Heinzerling) 240 Content Type Journal Article Pages 232-240 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 4-5 / 2011

Beschreibung: UN / GA 66th Session - Agenda Commences 174 Basel Convention - Turning Wastes into Valuable Resources "Promoting Compliance with Obligations?" (Katharina Kummer Peiry) 177 UN / GA / Marine WG-4 - Toward Coordination at Global Level (Ann Powers) 180 UNEP / Rio+20 Consultation - Major Group Input Takes Shape 182 UNFCCC - Climate Change Roadshow Moves to Bonn (Ian Fry) 185 CBD / ICNP-1 - All about Compliance (Elisa Morgera) 189 CITES / AC-25 - Animals Committee: Increasing Cooperation (Elisa Morgera) 191 Aarhus Convention / MOP-4 - Ensuring Global Relevance? (Elisa Morgera) 194 The Compliance Mechanism - Outcomes and Stocktaking - Veit Koester 196 UNECE / Water Convention - Progress on Aspects of Implementation (Laura Covino-Kerpelman) 205 Content Type Journal Article Pages 174-207 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 4-5 / 2011

Beschreibung: Elizabeth Haub Award - 2009 and 2010 Awards for Environmental Diplomacy 208 An Episode of Environmental Diplomacy - Julio Barboza 212 Informal Diplomacy, Oceans and the Rio Process - Biliana Cicin-Sain 216 Freshwater and International Law - Multiple Challenges (Christina Leb and Mara Tignino) 218 Content Type Journal Article Pages 208-221 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 4-5 / 2011

Beschreibung: Content Type Journal Article Category Editorial Pages 159-160 DOI 10.3233/JCM-2011-0371 Authors Vassilis Kodogiannis, University of Westminster, Westminster, UK Ilias Petrounias, The University of Manchester, Manchester, UK Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 4 / 2011

Beschreibung: Missing values are a critical problem in data mining applications. The substitution of these values, also called imputation, can be performed by several methods. This work describes the application of an optimized version of the Bayesian Algorithm K2 as an imputation tool for a clustering genetic algorithm. The resulting hybrid system is assessed by means of simulations in five benchmark datasets. The obtained results indicate that the proposed imputation method is a suitable data preparation tool for the employed clustering genetic algorithm. Content Type Journal Article Pages 173-183 DOI 10.3233/JCM-2011-0362 Authors Estevam R. Hruschka, Federal University of São Carlos, CP 676, 13.565-905 São Carlos, SP, Brazil Eduardo R. Hruschka, Catholic University of Santos, R. Carvalho de Mendonça, 144, 11.070-906, Santos, SP, Brazil Nelson F. F. Ebecken, Federal University of Rio de Janeiro, CP 68506, 21945-970, Rio de Janeiro, RJ, Brazil Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 4 / 2011

Beschreibung: Content Type Journal Article Pages 241-242 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 4-5 / 2011

Beschreibung: CMS / EUROBATS - The Protection of Migratory Species of Bats - A Review (Balraj Sidhu) 222 EU / CFP - A Fisheries Policy for the Future (Maria Damanaki) 229 Carpathian Convention / COP-3 - Draft Protocols Adopted (Matthias Jurek and Giacomo Luciani) 230 Content Type Journal Article Pages 222-231 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 4-5 / 2011

Beschreibung: Due to nonlinear rotation of polarization, the stochastic intensity and the spatio-temporal inhomogeneity of a multimode laser beam results to its depolarization when propagating in a nonlinear media. The ensemble and spatio-temporal averaging of Stokes parameters was performed analytically for an isotropic media and numerically for an anisotropic one. The experimentally measurable Stokes parameters show monotonic or oscillating decreasing dependence on the propagation distance; the characteristic depolarization length is evaluated. With respect to depolarization the anisotropic media is shown to behave like the isotropic one if the radiation intensity is sufficiently high. The measured value of depolarization agrees with the presented calculations. Content Type Journal Article Pages 183-195 DOI 10.3233/JCM-2010-0348 Authors V.E. Chernov, Voronezh State University, Voronezh 394693, Russia B.A. Zon, Belgorod State University, Belgorod 308015, Russia Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: Content Type Journal Article Category In Memoriam Pages 97-98 DOI 10.3233/JCM-2010-0352 Authors Andrzej Graja, Professor of Physics, Institute of Molecular Physics of the Polish Academy of Sciences, Poznań, Poland Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: Content Type Journal Article Category In Memoriam Pages 99-101 DOI 10.3233/JCM-2010-0353 Authors Geneviève Rivoire, Molecular Nonlinear Optics, Faculty of Physics, University of Angers, Bd. Lavoisier 2, Angers, France Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: The results of calculations of He-, Ne-, Ar-, Kr-, and Xe- broadening coefficients of ν _{1}, ν _{2} and ν _{3} ro-vibrational lines of H_{2}S molecule are presented and discussed. The calculations were performed in the framework of the Robert-Bonamy method, in which the exact trajectory model was incorporated. Parameters of the interaction potentials, chosen in the form of atom-atom potentials, were optimized to give the best agreement with the existing experimental data. With the exception of the some data the agreement between the calculated and experimentally measured broadening coefficients γ is satisfactory for the ν _{1} and ν _{3} bands of H_{2}S for all collisional partners. The measured strong J-dependence of helium broadening in the ν _{2} band did not appear in the calculation. Besides, it was found that an interaction potential for H_{2}S- He system is ambiguously determined. The optimal set of the parameters for H_{2}S- He interaction potential was used in the calculation of the helium broadening coefficients for the ν _{1} band of H_{2}S (J ⩽ 15, 100 K ⩽ T ⩽ 1000K) and then for their analytical representation. Content Type Journal Article Pages 585-594 DOI 10.3233/JCM-2010-0346 Authors Starikov Vitaly Ivanovich, Tomsk State University of Control Systems and Radioelectronics, Tomsk, 634050, Russia Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: The ONIOM method was used to reproduce geometrical parameters, atomic charges, dipole moment for α and β L-Fucopyranose which are biological interest molecules. The results of ONIOM(MP2/HF) and ONIOM(B3LYP/HF) calculations were compared to the values obtained by means of its corresponding theoretical levels MP2, DFT and RHF with 6-31G* bases set, using GAUSSIAN 98 software. Content Type Journal Article Pages 499-519 DOI 10.3233/JCM-2010-0339 Authors Sofiane Moussi, Laboratory of Physico-Chimie Théorique et Chimie Informatique, Faculty of Chemistry, U. S. T. H. B University, 16111 Algiers, Algeria Ourida Ouamerali, Laboratory of Physico-Chimie Théorique et Chimie Informatique, Faculty of Chemistry, U. S. T. H. B University, 16111 Algiers, Algeria Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: Content Type Journal Article Category In Memoriam Pages 103-104 DOI 10.3233/JCM-2010-0350 Authors Ryszard Tanaś, Nonlinear Optics Division, Department of Physics, Adam Mickiewicz University, 61-614 Poznań, Poland Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: The modelling of the diethynylsilane derivatives reveals large magnitudes of the first hyperpolarizability (β). The electron donor (D) and acceptor (A) groups are attached at both ends of the oligomers that containing up to ten heterocyclic rings. Several D/A pairs with different strengths were tested in this investigation. The magnitude of static and dynamic β was computed using the AM1/TDHF methodology. The presence of the alkyl donor groups containing heteroatom in the oligomers investigated contributes most for the largest values of the β hyperpolarizability observed. The effect of the oligomer chain length on the β magnitude is also investigated. The results demonstrate that the diethynylsilane derivatives are promising as second-order nonlinear optical materials. Content Type Journal Article Pages 205-212 DOI 10.3233/JCM-2010-0335 Authors R.A. Brennand, Universidade Federal de Pernambuco, Departamento de Química Fundamental, 50670-901, Recife, Pernambuco, Brazil A.E. de A. Machado, Universidade Federal de Pernambuco, Departamento de Química Fundamental, 50670-901, Recife, Pernambuco, Brazil Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: Within the framework of molecular quantum electrodynamics, the method of induced multipole moments is used to compute the laser-induced intermolecular energy shift between an electric dipole polarizable molecule and a magnetic dipole susceptible molecule, and between two magnetic dipole polarizable molecules. The physical viewpoint adopted in the calculation is one in which an applied electromagnetic field induces molecular multipole moments in each entity, which couple via the retarded resonant multipole-multipole interaction tensors. Expectation values taken over the ground electronic states of the material system, and a radiation field state containing n photons, leads directly to the coupling energy. Results are obtained for external radiation in a fixed orientation relative to the internuclear axis, with a thorough polarization analysis being carried out for linearly and circularly polarized radiation propagating in directions parallel and perpendicular to the separation distance vector, as well as for a freely tumbling molecular pair. Comparison is made with field-induced discriminatory energy shifts occurring between optically active molecules – which also involve coupling of electric and magnetic dipole moments, and the leading contribution to optical binding forces arising within the electric dipole approximation. Content Type Journal Article Pages 545-553 DOI 10.3233/JCM-2010-0342 Authors A. Salam, Department of Chemistry, Wake Forest University, Winston-Salem, NC 27109-7486, USA Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: In the present report we analyze the performance of DFT to compute molecular polarizabilities through the analysis of molecular polarization potential that can be used as a tool to understand their spatial effects in the calculation of molecular polarizabilities. This is done in the present report through the results obtained for three reference molecules: hydrogen cyanide, formaldehyde and urea. Calculations were carried out at the density functional theory using the BLYP and B3LYP functionals. The results of the polarization maps reveal similar trends observed with the calculation of the different components of the polarizability tensor. However, the use of the maps permits to understand spatial effects specific for each level of calculation and each basis set. Content Type Journal Article Pages 521-529 DOI 10.3233/JCM-2010-0340 Authors Lurdes Roset, Department of Chemical Engineering, Technical University of Catalonia ETS d'Enginyeria Industrial, Av. Diagonal, 647, 08028 Barcelona, Spain Juan J. Perez, Department of Chemical Engineering, Technical University of Catalonia ETS d'Enginyeria Industrial, Av. Diagonal, 647, 08028 Barcelona, Spain Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: Content Type Journal Article Category In Memoriam Pages 91-94 DOI 10.3233/JCM-2010-0351 Authors Tadeusz Bancewicz, Nonlinear Optics Division, Faculty of Physics, Adam Mickiewicz University, Umultowska 85, 61-614 Poznań, Poland Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: Recently, a novel type of intermolecular covalent interaction has been found in dimers with π-radical(s). In this paper, the optimized structure of the tetrathiafulvalence radical-cation dimer (TTF· ^{+}–TTF· ^{+}) is obtained with all-real frequencies, in which a 20-center-2-electron intermolecular covalent π/π bonding with a double-tube shape is theoretically predicted. The covalent π/π bonding energy is estimated to be about -21 kcal·mol^{-1} which counteracts partly the Coulombic repulsion between two TTF· ^{+} cations. This intermolecular covalent bonding can also influence the structure of the TTF· ^{+} subunit, i.e., its molecular plane is bent by an angle θ =5.6°. In addition, adding the background charges based on the TTF-TCNQ crystal structure, the interaction energy of TTF· ^{+}–TTF· ^{+} changes from a positive value to a large negative value. This work indicates that the TTF-TCNQ crystal structure built up from parallel, segregated stacks of cation radicals TTF· ^{+} and anions TCNQ·^{-} is stabilized by two main factors: the intermolecular covalent π/π bonding interaction between like-charged radicals and the effect of counterions. Content Type Journal Article Pages 343-352 DOI 10.3233/JCM-2010-0334 Authors Bing-Qiang Wang, State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry Jilin University, Changchun, 130023, China Fang-Fang Wang, State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry Jilin University, Changchun, 130023, China Fang Ma, State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry Jilin University, Changchun, 130023, China Zhi-Ru Li, State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry Jilin University, Changchun, 130023, China Di Wu, State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry Jilin University, Changchun, 130023, China Hong-Liang Xu, State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry Jilin University, Changchun, 130023, China Feng Long Gu, Center for Computational Quantum Chemistry, South China Normal University, Guangzhou, 510631, China Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: We consider the propagation of optical pulses in Kerr medium in the presence of a harmonic potential for 2D case in framework of Variational Approximation (VA). We will use two types of trial function: gaussian and hyperbolic secant ones. We will show that if the value of the nonlinearity parameter reaches a certain critical value the pulse collapses. This collapse corresponds to the physical situation when the self-focusing effect dominates over the dispersion and diffraction. We show that our analytical results are confirmed by several numerical calculations which are in excellent agreement with those of the VA predictions. By the analogy between the propagation equation and Gross-Pitajevski equation for Bose-Einstein condensates (BECs) we can transfer obtained results to the case of BEC placed in a external harmonic potential. It follows that in both of cases the wave collapse can appear. Content Type Journal Article Pages 451-458 DOI 10.3233/JCM-2010-0333 Authors V. Cao Long, Institute of Physics, Zielona Góra University, ul. Prof. Szafrana 4a, 65-516 Zielona Góra, Poland W. Leoński, Institute of Physics, Zielona Góra University, ul. Prof. Szafrana 4a, 65-516 Zielona Góra, Poland H. Nguyen Viet, Soltan Institute for Nuclear Studies, Hoża 69, 00-681 Warsaw, Poland Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: Two complexes of formula [Fe^{III}(salten)(DEAS)](BPh_{4}) and [Fe^{III}(salten)(MPS)](BPh_{4}) are reported in which H_{2} salten is the 4-azaheptamethylene-1,7-bis(salicylideneiminate) quinquadentate Schiff base ligand, DEAS is 4'-diethylamino-stilbazole, and MPS is 4'-[2-(methoxymethyl)pyrrolidinyl]-stilbazole. Both complexes exhibit a partial S=5/2 → 1/2 spin crossover behaviour on cooling down to low temperature. Additionally, DEAS exhibits potential nonlinear optical (NLO) properties in relation to an intense π-π* charge transfer transition between the amine and the pyridine moieties. The temperature dependence of the optical spectra of [Fe^{III}(salten)(DEAS)]^{+} is compared to that of 4'-diethylamino-1-methylstilbazolium (DEAMS^{+}), a cation related to [Fe^{III}(salten)(DEAS)]^{+}, in which the NLO active DEAS ligand is linked to a methyl instead of an iron complex, and therefore exhibits no magnetic behaviour. The occurrence of a red shift upon cooling down is discussed in relation with the spin equilibrium, on the basis of the ZINDO calculated spectra. A similar shift is observed between [Fe^{III}(salten)(mepepy)]^{+} complex (mepepy=1-(pyridin-4-yl)-2-(N-methylpyrrol-2-yl)-ethane) and Me-mepepy^{+}, N-methylated form of mepepy. The potential effect of these behaviours on the NLO properties is discussed, in a perspective of molecular materials with interacting electronic capabilities. Content Type Journal Article Pages 433-449 DOI 10.3233/JCM-2010-0332 Authors Jean François Lamère, CNRS; LCC (Laboratoire de Chimie de Coordination); 205 route de Narbonne, F-31077 Toulouse, France Viviane Peyrou, CNRS; LCC (Laboratoire de Chimie de Coordination); 205 route de Narbonne, F-31077 Toulouse, France Isabelle Sasaki, CNRS; LCC (Laboratoire de Chimie de Coordination); 205 route de Narbonne, F-31077 Toulouse, France Pascal G. Lacroix, CNRS; LCC (Laboratoire de Chimie de Coordination); 205 route de Narbonne, F-31077 Toulouse, France Laure Vendier, CNRS; LCC (Laboratoire de Chimie de Coordination); 205 route de Narbonne, F-31077 Toulouse, France Marie Laure Boillot, ICMMO, Equipe de Chimie Inorganique, (UMR 8182), Univ Paris-Sud, 91405 Orsay, France Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: The explicit expression for magnetic induction vector of a ring current at arbitrary point in toroidal coordinates is presented in terms of the full elliptic integral of the first kind and its derivative over integral modulus. There is a conjugated point for any observation point: it is an image of the latter in a sphere with the ring current as its equator. The conjugated point lies on the same vector and has the same integral modulus as the initial point. Content Type Journal Article Pages 469-474 DOI 10.3233/JCM-2010-0336 Authors M. M. Mestechkin, 12773 Seabreeze Farms Dr. # 33 San Diego, CA 92130, USA Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: Third-order nonlinear optical properties of functionalized deoxyribonucleic acid (DNA) are studied by optical third harmonic generation at 1 0642 nm fundamental wavelength. The studies were performed on thin films of DNA-CTMA and DNA-CTMA doped with a charge transfer molecules DR1 and with a cobalt phthalocyanine. They show that DNA, similarly as synthetic polymers, can be used as matrix for highly active NLO chromophores. Content Type Journal Article Pages 531-543 DOI 10.3233/JCM-2010-0341 Authors I. Rau, POLITEHNICA University of Bucharest, Faculty of Applied Chemistry and Materials Science, Str. Polizu nr. 1, Bucharest, Romania O. Krupka, Kiev National Taras Shevchenko University, Macromolecular Chemistry Department, Volodymyrska street, 64, 01033 Kiev, Ukraine J.G. Grote, Air Force Research Laboratory Materials & Manufacturing Directorate, Wright-Patterson Air Force Base, 3005 Hobson Way, Dayton, OH 45433-7707, USA F. Kajzar, POLITEHNICA University of Bucharest, Faculty of Applied Chemistry and Materials Science, Str. Polizu nr. 1, Bucharest, Romania B. Sahraoui, Institute of sciences and molecular technologies of Angers MOLTECH Anjou – UMR CNRS 6200 Molecular interaction nonlinear optics and structuring MINOS, 2 Bd. Lavoisier, 49045, France Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: Homogeneous dielectric media models are considered when calculating nonlinaer optical molecular porperties using correlated electronic structure response methods. Content Type Journal Article Pages 475-485 DOI 10.3233/JCM-2010-0337 Authors Kurt V. Mikkelsen, Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark. E-mail: kmi@kemi.ku.du Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: Content Type Journal Article Category In Memoriam Pages 95-95 DOI 10.3233/JCM-2010-0354 Authors A.D. Buckingham, Department of Chemistry, Cambridge University, Cambridge, United Kingdom Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: The results of ab initio and density functional theory DFT calculations of dipole moments and electronic contributions to static dipole (hyper)polarizabilities of benzaldehyde and thiobenzaldehyde molecules in gas phase are presented. These properties were evaluated at the SCF, MP2, MP4 and DFT (B3LYP) levels of theory with a selection of basis sets that include polarization and diffuse functions on the C, O, S and H atoms: 6-31+G(d,p) (A), 6-311++G(3d,3p) (B), 6-31+G(d*,p) (C) and the Sadlej (D) basis sets, using HF/A, MP2/A and B3LYP/A optimized geometries under the Cs symmetry restriction. The C basis set has been optimized in terms of the maxima second hyperpolarizability at HF level. Both MP2 and MP4 methods, performed at full electron configuration, have shown to perform well in the calculation of such properties. Considering the basis sets effects, the impact of the electron correlation in the (hyper)polarizabilities of these molecules is analyzed systematically in terms of the differences between MP2 and MP4 perturbation theory and those from DFT(B3LYP) methods. The effects of substitution of the C=S fragment by the C=O group in the benzaldehyde molecule, giving the formation of thiobenzaldehyde, lead to enhanced results of nonlinear optical properties in terms of their first (β) and second hyperpolarizability (γ), that shown to be higher than those for para-Nitroaniline molecules. In fact, thiobenzaldehyde exhibit significant values of nonlinear optical properties which make this chromophore a prospective building block for nonlinear optical materials. Content Type Journal Article Pages 573-583 DOI 10.3233/JCM-2010-0345 Authors Humberto Soscún, Centro Nacional de Tecnología Química CNTQ, Complejo Tecnológico Simón Rodríguez CTSR, La Carlota, Caracas, Venezuela Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: We review some counterintuitive properties of standard measures describing quantum entanglement and violation of Bell's inequality (often referred to as "nonlocality") in two-qubit systems. By comparing the nonlocality, negativity, concurrence, and relative entropy of entanglement, we show: (i) ambiguity in ordering states with the entanglement measures, (ii) ambiguity of robustness of entanglement in lossy systems and (iii) existence of two-qubit mixed states more entangled than pure states having the same negativity or nonlocality. To support our conclusions, we performed a Monte Carlo simulation of 10^6 two-qubit states and calculated all the entanglement measures for them. Our demonstration of the relativity of entanglement measures implies also how desirable is to properly use an operationally-defined entanglement measure rather than to apply formally-defined standard measures. In fact, the problem of estimating the degree of entanglement of a bipartite system cannot be analyzed separately from the measurement process that changes the system and from the intended application of the generated entanglement. Content Type Journal Article Pages 487-498 DOI 10.3233/JCM-2010-0338 Authors Adam Miranowicz, Faculty of Physics, Adam Mickiewicz University, 61-614 Poznań, Poland Bohdan Horst, Faculty of Physics, Adam Mickiewicz University, 61-614 Poznań, Poland Andrzej Koper, Faculty of Physics, Adam Mickiewicz University, 61-614 Poznań, Poland Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: In this paper, basis sets for H, C, N and O atoms were adjusted to obtain electric properties of diatomic molecules. The dipole moment, polarizability and first-order hyperpolarizability were calculated for H_{2}, CH^{+}, CN^{-} and CO molecules and the basis sets modified to reproduce the reference data available. A sequential methodology was used, where the basis set for H is firstly adjusted and then used to fit the basis set for C in the CH^{+} molecule and so on. The final basis sets were (7s2p1d)→[3s2p1d] for H and (9s5p2d)→ [5s3p2d] for C and O. In the case of N atom, the best basis set was found to be (9s5p1d)→[5s3p1d], where only one set of d polarization functions was needed. The atomic basis sets fitted were further utilized for calculation of geometry and electric properties of 36 benzene derivatives mono- and di-substituted by electron donor and acceptor groups attached at ortho, meta and para positions. The results were satisfactory for most of molecules. For instance, in the case of p-nitroaniline, an important push-pull benzene derivative, the first hyperpolarizability was predicted to be 9.4 × 10^{-30} e.s.u. in excellent agreement with experimental value, 9.2 × 10^{-30} e.s.u.. Besides electric properties, our basis sets also gave good geometries for polyatomic molecules at reasonable computational cost. Therefore, the results reported in the present paper suggest the use of our modified basis sets for calculation of geometry and electric properties (linear and non-linear) of push-pull benzene derivatives like molecules. Content Type Journal Article Pages 225-242 DOI 10.3233/JCM-2010-0343 Authors Diego Paschoal, NEQC: Núcleo de Estudos em Química Computacional, Departamento de Química – ICE, Universidade Federal de Juiz de Fora. Campus Universitário, 36.036-330, Juiz de Fora – MG, Brasil Marcello F. Costa, LMMB: Laboratório de Modelagem de Moléculas Bioativas, Departamento de Física – CCE, Universidade Estadual de Londrina. Campus Universitário, 86051-990, Londrina – PR, Brasil Georgia M.A. Junqueira, NEQC: Núcleo de Estudos em Química Computacional, Departamento de Química – ICE, Universidade Federal de Juiz de Fora. Campus Universitário, 36.036-330, Juiz de Fora – MG, Brasil Hélio F. Dos Santos, NEQC: Núcleo de Estudos em Química Computacional, Departamento de Química – ICE, Universidade Federal de Juiz de Fora. Campus Universitário, 36.036-330, Juiz de Fora – MG, Brasil Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: The absorption and scattering of IR radiation by aqueous ultradisperse systems that absorb nitrogen, oxygen, or argon are studied with the molecular dynamics method on the basis of a flexible molecule model. After nitrogen or argon is captured by an aqueous disperse system, the absorption of the IR radiation by this system increases owing to the enhancement of intramolecular vibrations. It is demonstrated that the integral intensity of absorption of IR radiation decays after water clusters adsorb oxygen. As the nitrogen concentration in a system of water clusters rises, the power of IR radiation emitted by the system increases significantly. The attachment of molecular oxygen by clusters leads to decay of the power of their IR radiation, while the capture of atomic oxygen, on the contrary, is accompanied by an increase in the rate of dissipation of energy accumulated by water aggregates. The power of radiation generated by cluster systems at the expense of thermal energy increases considerably when there is one adsorbed argon atom per cluster and decreases with a twofold increase in the number of argon atoms in clusters. Content Type Journal Article Pages 307-326 DOI 10.3233/JCM-2010-0326 Authors A.Y. Galashev, Institute of Industrial Ecology, Ural Division, Russian Academy of Sciences, Sofia Kovalevskaya Str., 20a, Yekaterinburg, 620219 Russia Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: The paper reports computations for Al@C_{82}, Sc@C_{82}, Y@C_{82} and La@C_{82} based on encapsulation into the IPR (isolated pentagon rule) C_{2v} C_{82} cage. Their structural and bonding features are also used for evaluations of the relative production yields, employing the encapsulation Gibbs-energy terms and saturated metal pressures. The results can be well related to the ionization potentials of the free metal atoms. Content Type Journal Article Pages 569-574 DOI 10.3233/JCM-2010-0344 Authors Zdeněk Slanina, Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki 444-8585, Aichi, Japan Filip Uhlík, Department of Physical and Macromolecular Chemistry, Charles University in Prague, Faculty of Science, Albertov 6, 128 43 Praha 2, Czech Republic Shyi-Long Lee, Department of Chemistry and Biochemistry, National Chung-Cheng University, Chia-Yi 62117, Taiwan Shigeru Nagase, Department of Theoretical and Computational Molecular Science, Institute for Molecular Science, Myodaiji, Okazaki 444-8585, Aichi, Japan Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: Content Type Journal Article Pages 53-54 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 1 / 2011

Beschreibung: The principle of minimum polarizability (MPP) has been investigated for the spin states of several transition metal complexes, using methods (OPBE, SSB-D) that are reliable for providing spin-state energies. For all complexes studied, these functionals indeed provide the same ground-state with similar spin-state splittings. The corresponding polarizabilities for each of the spin states however show that there is no correlation between the spin-state energy and its polarizability. Hence, the stability of a given spin-state can not be deduced from its polarizability value, leading to yet another breakdown of the MPP principle. Content Type Journal Article Pages 609-614 DOI 10.3233/JCM-2010-0347 Authors Marcel Swart, Institut de Química Computacional and Departament de Química, Universitat de Girona, Campus Montilivi, 17071 Girona, Spain Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: Marine Genetic Resources beyond National Jurisdiction "Coordination and Harmonisation of Governance Regimes" (Arianna Broggiato) 35 Environmental Damage "A New Challenge for China, Continuing Challenges forWestern Legal Systems" (Mariachiara Alberton, Luciano Butti, Marco Cremonini, Massimo Martinelli, Manuela Molinaro,Yanming Ren, Patrizia Scalas, Luigi Torriano, Guangxuan Xie, Fang Yu, Hongzhen Zhang) 42 GEF / 39th Council - Few Surprises in the Meeting (Soledad Aguilar) 52 Content Type Journal Article Pages 35-52 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 1 / 2011

Beschreibung: The Chagos Archipelago - Recent Developments 143 European Court of Justice - Judgement on German Implementation of the Aarhus Convention (Eckard Rehbinder) 144 Caribbean - Maritime Delimitation Controversy Continues 150 Content Type Journal Article Pages 143-151 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 3 / 2011

Beschreibung: Philippines - Environmental Law and Justice "Developments and Reforms" (Amado S. Tolentino Jr and Ana Maria E. Tolentino) 152 India - The Niyamgiri Hills Bauxite Project "Balancing Resource Extraction and Environment Protection" (Balraj Sidhu) 166 Content Type Journal Article Pages 152-171 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 3 / 2011

Beschreibung: CSD-19 - Disappointing Outcome 112 UNFCCC - Setting the Climate Agenda in Bangkok (Ian Fry) 115 UNFCCC - The Art of Negotiating in Circles (Soledad Aguilar) 117 CITES / Plants Committee - The Science/Compliance Interface (Elisa Morgera) 119 POPs / COP-5 - Endosulfan Listed and Compliance Addressed 121 Content Type Journal Article Pages 112-122 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 3 / 2011

Beschreibung: Content Type Journal Article Pages 171-172 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 3 / 2011

Beschreibung: The Fight against Wildlife Crime - Enforcement v. Corruption (Yolanda Kakabadse) 123 International Water Law for Transboundary Resource Management - Environmental and Human Rights (Vinoli Thampapillai) 127 Traditional Medicine - Semra Sevim 136 Content Type Journal Article Pages 123-143 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 3 / 2011

Beschreibung: State Responsibility / Liability "Erga Omnes Obligations and Judicial Control" (Alfred Rest) 298 Elizabeth Haub Prize - 2009 Prize for Environmental Law 308 Is Capacity Building Presently of Age? - Donald Kaniaru 312 ICAO - Environmental Prospects for the Air Transport Industry (Ruwantissa Abeyratne) 319 G-20 - The Seoul Summit (Soledad Aguilar) 329 Content Type Journal Article Pages 298-330 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 40 Journal Issue Volume 40, Number 6 / 2010

Beschreibung: Jordan - Dead Sea/Red Sea Canal Project (Hamaideh Arwa and Mohamed Abd El Jaleel Awabdeh) 348 USA - California and Climate Change (Anna Frostic and Stephen C. McCaffrey) 352 Australia - Climate Change Policy Evaluation "Method and Criteria" (Evgeny Guglyuvatyy) 355 Content Type Journal Article Pages 348-362 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 40 Journal Issue Volume 40, Number 6 / 2010

Beschreibung: Content Type Journal Article Pages 363-364 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 40 Journal Issue Volume 40, Number 6 / 2010

Beschreibung: South Asia - Transboundary Waters on the Subcontinent (Armin Rosencranz, Abhimanyu George Jain and Raeesa Vakil) 331 Africa and Southeast Asia - Gorillas and Their Habitats "A Legal Review" (Balraj Sidhu) 337 Pacific Island Countries - Regional Meeting for CBD COP-10 (Ian Fry) 341 Alpine Region - Helicopters in the Alps "International Legal Aspects" (Jennifer Heuck) 342 Alpine Convention - Switzerland: Not Ratifying the Protocols (Thomas Egger) 345 - 44th Meeting of the Standing Committee 346 Arctic Council - Senior Arctic Officials Meeting 346 OSPAR - The First High Seas MPA Network (Graeme Kelleher) 347 Content Type Journal Article Pages 331-347 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 40 Journal Issue Volume 40, Number 6 / 2010

Beschreibung: FAO - Preventing, Deterring and Eliminating IUU Fishing "Port State Measures" (Blaise Kuemlangan and Michael Press) 262 UN/GA / MDG Summit - Environmental Dimension of the MDGs "Progress Made?" (Elisa Morgera) 269 - Sustainable Development and Biodiversity (Constanza Martinez) 273 High-level Event on Biodiversity - Selected Statements by Representatives of the Member States 279 CBD / COP-10 - Post-2010 Implementation (Elisa Morgera) 281 - Access and Benefit Sharing "The Nagoya Protocol" (Elsa Tsioumani) 288 - Liability and Redress "Supplement to the Cartagena Protocol" 293 Content Type Journal Article Pages 262-297 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 40 Journal Issue Volume 40, Number 6 / 2010

Beschreibung: Experimental studies on the inhibitive and adsorption properties of leucine, alanine and glycine for the corrosion of mild steel in H_{2}SO_{4} solutions were carried out using weight loss and gasometric methods. The theoretical investigation was carried out using quantum chemical principles. The results obtained indicate that from the experimental studies, inhibition efficiencies correlate with some quantum chemical parameters and with the theoretical inhibition efficiencies (obtained through quantitative structure activity relation). The adsorption of the inhibitors is spontaneous and supports the mechanism of physical adsorption. The site for electrophillic attack is at the carboxyl functional group of the inhibitors. Content Type Journal Article Pages 25-43 DOI 10.3233/JCM-2011-0290 Authors Nnabuk O. Eddy, Department of Chemistry, Ahmadu Bello University, Zaria, Nigeria Udo J. Ibok, Department of Chemistry, University of Calabar, Calabar, Nigeria Benedict I. Ita, Department of Chemistry, University of Calabar, Calabar, Nigeria Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 1-2 / 2011

Beschreibung: A computational approach is used to find new solitary solutions of some nonlinear partial differential equations of higher order. The usual starting point is a special transformation converting the equation under consideration in its two variables x and t into a nonlinear ordinary differential equation in the single variable ξ. When we consider the method of hyperbolic functions, new distinctive classes of solutions of physical relevance result. The new feature of this paper is the fact that we are able to calculate distinctive classes of solitary solutions which cannot be found in the literature. In other words using this method the solution manifold is augmented by further classes of solution functions. Simultaneously we stress the necessity of such sophisticated methods since a general theory of nonlinear partial differential equations does not exist. Otherwise this paper is a natural completion of our recent results using alternative approaches for calculating soliton-like solutions. Content Type Journal Article Pages 13-23 DOI 10.3233/JCM-2011-0289 Authors Alfred Huber, Prottesweg 2a, A-8062 Kumberg, Austria. E-mail: soliton.alf@web.de Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 1-2 / 2011

Beschreibung: We report an investigation of electron conduction in oligophenyl based double barrier molecular device. We have carried out analytical calculations and numerical simulations on isolated molecules, consisting of aromatic π conjugated system made up of three phenyl rings separated by insulator groups -CH_{2}-, -SiH_{2}-, -GeH_{2}- and -SnH_{2}-. We show analytically as well as numerically that when the two insulator groups are different an asymmetric electron transport in the presence of external electric field is possible,thus resembling a diode which allows one way electron transport. Content Type Journal Article Pages 57-67 DOI 10.3233/JCM-2011-0355 Authors Aranya B. Bhattacherjee, Department of Physics, ARSD College, University of Delhi (South Campus), New Delhi-110021, India Suman Dudeja, Department of Chemistry, ARSD College, University of Delhi (South Campus), New Delhi-110021, India Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 1-2 / 2011

Beschreibung: The purpose of the present paper is to cover two intentions: Firstly we introduce a new computational algebraic procedure that can be applied to derive classes of solutions of nonlinear partial differential equations especially of higher order important in scientific and technical applications. The crucial step needs an auxiliary variable satisfying some ordinary differential equations of the first order containing sine, cosine and their hyperbolic varieties introducing for the first time connected by a special functionally dependence. Stated in most general form the solution manifold of these ordinary differential equations admits elliptic integrals and functions, respectively, as analytical solutions. Secondly the validity and reliability of the method is tested by its application to a rarely studied nonlinear evolution equation of the fourth order and leads to new classes of solutions. Nevertheless it should be emphasised that this technique does not need the solution of complicated nonlinear ordinary differential equations as caused the case of similarity reduction techniques. Further the algorithm works efficiently, is clearly structured and can be used in applications independently of the order of the equation. For computational purposes the method is appropriate to be written in any computer language. Therefore the given novel algebraic approach is suitable for wider classes of nonlinear partial differential equations in order to augment the solution manifold by a straightforward alternative approach. Content Type Journal Article Pages 45-56 DOI 10.3233/JCM-2011-0310 Authors Alfred Huber, Prottesweg 2a, A-8062 Kumberg, Austria. E-mail: soliton.alf@web.de Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 1-2 / 2011

Beschreibung: This study investigated the performance of Cell processor in Monte Carlo simulation using the EGSnrc code. The execution speeds of two processor-intensive functions namely, HOWNEAR and RANMAR_GET in the EGSnrc code based on the informal 20–80 rule were measured, using the profiler gprof, which specified the number of executions and total time spent in the function. The functions were re-implemented in a testing architecture designed for Cell processor using a Playstation3 (PS3) system. This specific framework was designed to divide the program functionality in two-isolating branching code for execution on the powerPC processing element (PPE) and synergistic processing elements (SPEs) in the system. Depth dose profiles in heterogeneous phantoms using photon and electron beams calculated by a CPU and Cell processor were compared and there was no difference in the results. It was found that our examined algorithms could be parallelizable on the Cell processor, provided that an architectural change of the EGSnrc was made so that the code was initialized on the PPE, and execution of the simulation loop within the program be split between the PPE and SPE. Since it was found that the EGSnrc performance was currently limited by the PPE using the Cell processor, a computing platform of PC coupled with a general purpose programming on graphics processing units or GPGPU may provide a more viable avenue for acceleration. Content Type Journal Article Pages 1-12 DOI 10.3233/JCM-2011-0358 Authors James C.L. Chow, Radiation Medicine Program, Princess Margaret Hospital and Department of Radiation Oncology, University of Toronto, Toronto, ON, M5G 2M9, Canada Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 1-2 / 2011

Beschreibung: The Cahn-Hilliard Equation was introduced to study phase separation in binary alloy glasses and polymers and is a good approach to spinodal decomposition. General families of solutions are of basic interest. Therefore a complete characterization of the group properties is given. We determine the Lie point symmetry vector fields and calculate similarity solutions. Depending upon the approach, here, in this case, the traveling-wave reduction leads to new nonlinear ordinary differential equations which only can be solved by numerical methods. We show that these ordinary differential equations are not of Painlevé type and can therefore not fully be integrated. The crucial point of the paper is the fact that we are able to calculate new classes of solutions by a new algebraic method derived recently by the author. These new solutions, important in relevant applications, are discussed whereby we support the theoretical results by illustrative figures. Content Type Journal Article Pages 69-85 DOI 10.3233/JCM-2011-0357 Authors Alfred Huber, Prottesweg 2a, A-8062 Kumberg, Austria. E-mail: soliton.alf@web.de Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 1-2 / 2011

Beschreibung: In this paper we present a new expression relating the electronic polarizability (α_{e}) in terms of ionic charge (Z), melting temperature (T_{m}) and mean atomic volume (Ω) for zinc blende (A^{II}B^{VI} and A^{III}B^{V}) structured solids. The electronic polarizability of these solids exhibit a linear relationship when plotted against the k_{B}T_{m}/Ω (k_{B}= Boltzmann's constant), but fall on different straight lines according to the product of the ionic charge of the compounds. We have applied the proposed relation on these solids and found a better agreement with the experimental data as compared to the values evaluated by earlier researchers. Content Type Journal Article Pages 615-620 DOI 10.3233/JCM-2010-0349 Authors A.S. Verma, Department of Physics, Panjab University, Chandigarh, India Sheetal Sharma, Department of Physics, Panjab University, Chandigarh, India V.K. Jindal, Department of Physics, Panjab University, Chandigarh, India Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 10 Journal Issue Volume 10, Number 3-6 / 2010

Beschreibung: UN / GA 65th Session - Environmental Policy and Legal Resolutions (Elisa Morgera) 2 UNCSD-Rio+20 / ISM-1 - Finding Common Ground (Elsa Tsioumani) 9 UNFCCC / Kyoto Protocol - Outcomes of the Cancún Conferenc (Soledad Aguilar) 10 Clean Development Mechanism - Proposal for an Appeals Process (Michael Bothe, Thilo Marauhn, Eckard Rehbinder, Ayse Martina Böhringer, Johan Horst) 14 CMS / ACCOBAMS / MOP-4 - Geographical Area Overlapping with ASCOBANS "Legal or Other Implications" (Elizabeth Maruma Mrema and Heidrun Frisch) 18 CMS - International Tiger Forum "Reflections" (Aline Kühl) 22 Montreal Protocol / MOP-22 - "Universal" Agreement Makes Limited Progress 24 INC Mercury-1 & 2 - Negotiations Commence 26 Content Type Journal Article Pages 2-34 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 1 / 2011

Beschreibung: UN / GA 66th Session - Summary of Environmental Outcomes 2 CSD (Rio+20) / ISM-2 - Crafting a Concise Outcome (Ann Powers) 9 UN / ECE - Regional Preparation for Rio+20 (Laura Covino-Kerpelman) 10 UNFCCC / COP-17 - Long Negotiations Produce a Climate Roadmap (Soledad Aguilar) 15 CBD - Article 8(j) and SBSTTA "Sustainable Use and Ecosystem Restoration" (Elisa Morgera) 19 CMS / COP-10 - A Strategy to Coordinate and Strengthen Commitments (Elisa Morgera) 23 Montreal Protocol - Diffi cult Negotiations as Inter-Linkages Expand 26 Content Type Journal Article Pages 2-27 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 42 Journal Issue Volume 42, Number 1 / 2012

Beschreibung: Elizabeth Haub Prize - 2010 Prize for Environmental Law 28 Images of Growth (Daniel B. Magraw) 30 Eye on Earth Summit 2011 - Improving Environmental Knowledge 38 What does CITES do for Conservation? (Willem Wijnstekers) 41 NGOs and Business for Sustainable Development - An Inevitable Partnership (Amado Tolentino) 43 Content Type Journal Article Pages 28-45 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 42 Journal Issue Volume 42, Number 1 / 2012

Beschreibung: We consider techniques based on artificial neural networks for combining collaborative (social) and content information in a recommender system in order to enhance recommendation performance. We find that the recommendation quality achieved by a feedforward multilayer perceptron network operating on combined collaborative and content-based information (preprocessed using the singular value decomposition) is statistically significantly better than that of a network that is provided with the collaborative data alone, assuming that dimensionality reduction is performed on the collaborative and content-based data components separately. We propose a mixture of attribute experts neural network architecture that exploits the natural division between content and social information in order to reduce the number of network connections, resulting in more efficient training and recommendation than a standard fully connected network. We characterize the set of functions that can be expressed by mixture of attribute experts networks. The top 3 precision achieved by a recommender system based on our mixture of attribute experts architecture is superior to that of a purely collaborative system at a strong statistical significance level (P〈 0.01). A random restarting technique reduces the average running time without affecting recommendation precision. CR Categories and Subject Descriptors. H.3.3 [Information Storage and Retrieval]: Information Search and Retrieval – Information Filtering; H.2.8 [Database Management]: Database Applications – Data Mining; I.2.6 [Artificial Intelligence]: Learning – Connectionism and neural nets; I.5.1 [Pattern Recognition]: Models – Neural nets; I.5.5 [Pattern Recognition]: Implementation – Special architectures. Content Type Journal Article Pages 161-172 DOI 10.3233/JCM-2011-0360 Authors Sergio A. Alvarez, Computer Science Department, Boston College, Chestnut Hill, MA, USA Carolina Ruiz, Computer Science Department, WPI, Worcester, MA, USA Takeshi Kawato, Computer Science Department, WPI, Worcester, MA, USA Wendy Kogel, BAE Systems, Burlington, MA, USA Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 4 / 2011

Beschreibung: Neural networks are currently finding practical applications, ranging from 'soft' regulatory control in consumer products, to the accurate modelling of nonlinear systems. Load forecasting is an important component for power system energy management system. Precise load forecasting helps the electric utility to make unit commitment decisions, reduce spinning reserve capacity and schedule device maintenance plan properly. In this paper we analyse the problem of short term load forecasting and propose a novel neural network scheme based on the Extended Normalised Radial Basis Function network. The Bayesian Ying Yang Expectation Maximisation algorithm has been used with novel splitting operations to determine a network size and parameter set. The results, utilising data from Eastern Slovakian Energy Board, are then compared with that of an MLP neural network. Content Type Journal Article Pages 243-255 DOI 10.3233/JCM-2011-0389 Authors V.S. Kodogiannis, Computational Intelligence Group, School of Electronics and Computer Science, University of Westminster, 115 New Cavendish Street, London W1W 6UW, UK 49 Patriarxou Grigoriou E' Str., Heraklion, Crete, GR-71305, Greece M. Amina, School of Electronics and Computer Science, University of Westminster, 115 New Cavendish Street, London W1W 6UW, UK J.N. Lygouras, Department of Electrical and Computer Engineering, Democritus University of Thrace, Xanthi, GR-67100, Greece Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 4 / 2011

Beschreibung: The electroencephalograph (EEG) signal is one of the most widely used signals in the biomedicine field due to its rich information about human tasks. This research study describes a new approach based on a fuzzy logic system implemented in the framework of a neural network for classification of EEG signals. In practical applications of pattern recognition, there are often diverse features extracted from raw data, which need recognising. Because of the importance of making the right decision, the present work is carried out for searching better classification procedures for the EEG signals. Decision making was performed in two stages: feature extraction using the wavelet transform and classification using the classifier trained on the extracted features. The proposed network constructs its initial rules by clustering, while the final fuzzy rule base is determined by competitive learning. Both error backpropagation and recursive least squares estimation, are applied to the learning scheme. The performance of the model was evaluated in terms of training performance and high classification accuracies and the results confirmed that the proposed scheme has potential in classifying the EEG signals. Content Type Journal Article Pages 209-225 DOI 10.3233/JCM-2011-0387 Authors P. Jahankhani, School of Computing, Information Technology and Engineering, University of East London, London, UK V.S. Kodogiannis, Computational Intelligence Group, School of Electronics and Computer Science, University of Westminster, London, UK 49 Patriarxou Grigoriou E' Str., Heraklion, Crete, Greece J.N. Lygouras, Department of Electrical & Computer Engineering, Democritus University of Thrace, Xanthi, Greece I.P. Petrounias, Manchester Business School, The University of Manchester, Manchester, UK Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 4 / 2011

Beschreibung: The need for explicit time representation in workflow environments has been recently identified. Although the concept of time is an intrinsic part of a workflow application, time management has been treated as an issue of ordering the constructs of the workflow specification. This traditional approach aids mainly in the monitoring of activity deadlines. There is limited support for modelling and representation of time constraints associated with the processes and their activities or cases. This paper presents a temporal formalism for representing indeterminacy to workflow specifications. We further argue that integrating workflows with temporal databases can further enhance the workflow specification. Finally we utilise agents as part of a temporal workflow environment. Particular attention is paid in the allocation of agents to workflow activities with reference to the properties of conflict resolution and moving hierarchies. Content Type Journal Article Pages 193-207 DOI 10.3233/JCM-2011-0365 Authors Panagiotis Chountas, School of ECS, University of Westminster, London, W1W 6UW, UK Ilias Petrounias, University of Manchester, Manchester, PO BOX 88, M60 1QD, UK Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 4 / 2011

Beschreibung: The automatic construction of controllers would be ideal in situations where traditional control theory and algorithms fail, as it is the case with certain dynamical systems. Genetic programming, a field under the "umbrella" of evolutionary computation, is capable of creating computer programs given a high level description of a problem. The evolution of such computer programs is driven by their fitness. The fitness is defined by an objective function, which measures how well a particular program performs for the specific problem that tries to solve. Any controller can be described in terms of a computer program and thus, at least in theory, genetic programming offers an ideal candidate for the automatic construction of controllers. This paper considers the application of genetic programming on two different problems: the aircraft autolanding problem and the bioreactor control problem, both of which have been suggested in the literature as challenging benchmarks in the quest for building automatic controllers. The results presented here show that successful control laws in analytic form are derived for both cases. Content Type Journal Article Pages 227-242 DOI 10.3233/JCM-2011-0388 Authors Dimitris C. Dracopoulos, School of Electronics and Computer Science, University of Westminster, London W1W 6UW, UK. E-mail: d.dracopoulos@westminster.ac.uk Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 4 / 2011

Beschreibung: In this paper, we propose an efficient clustering algorithm for analyzing categorical data streams. It has been proved that the proposed algorithm uses small memory footprints. We provide empirical analysis on the performance of the algorithm in clustering both synthetic and real data streams. Content Type Journal Article Pages 185-192 DOI 10.3233/JCM-2011-0363 Authors Zengyou He, School of Software, Dalian University of Technology, Dalian, 116620, China Xiaofei Xu, Department of Computer Science and Engineering, Harbin Institute of Technology, P.O. Box 315, Harbin 150001, China Shengchun Deng, Department of Computer Science and Engineering, Harbin Institute of Technology, P.O. Box 315, Harbin 150001, China Joshua Zhexue Huang, Shenzhen Institute of Advanced Technology, Shenzhen, China Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 4 / 2011

Beschreibung: In this work, we have investigated the electronic properties of the III-VII binary compound semiconductors TlBr and TlCl by means of first-principles density-functional total-energy calculation using the all-electron full potential linear augmented plane-wave method (FP-LAPW). The (FPLAPW) method was used within the density functional theory (DFT) along with the Engel-Vosko and (GGA96) exchange correlation potential. The energy bands along high symmetry directions, the density of states and valence charge density distributions cut through various planes are presented. The results have been discussed in terms of previously existing experimental and theoretical data, and comparisons with similar compounds have been made. Analysis of band structure suggests a direct and a pseudo-direct band gaps for both compounds. Content Type Journal Article Pages 313-321 DOI 10.3233/JCM-2011-0390 Authors M. Benkraouda, Physics Department, United Arab Emirates University, Al-Ain, P.O. Box, UAE F. Hamed, Physics Department, United Arab Emirates University, Al-Ain, P.O. Box, UAE N. Amrane, Physics Department, United Arab Emirates University, Al-Ain, P.O. Box, UAE Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 5-6 / 2011

Beschreibung: Content Type Journal Article Pages 303-303 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 6 / 2011

Beschreibung: SPREP - Multilateral Environmental Agreements in the Pacific "Building Capacity" (Jill Key and Clark Peteru) 288 Content Type Journal Article Pages 288-291 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 6 / 2011

Beschreibung: Kenya - Participatory Natural Resource Management "Policy and Institutional Framework" (Part II) (Matiku Paul Museng'ya, Mileri Caleb and Ogol Calestus) 292 Germany - Providing Policy Advice in Maghreb States "Approaches and Successes" (Ellen Gunsilius, Axel Olearius and Anja Waldraff) 299 Content Type Journal Article Pages 292-302 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 6 / 2011

Beschreibung: We present an extension of our previously published density functionals benchmarking for the static dipole polarizability calculations of 4d transition metal monohalides MX (M = Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, and Cd; X=F, Cl, Br, and I) [M. Alipour and A. Mohajeri, Mol. Phys. 109 (2011), 1439]. Based on a statistical analysis, the behaviors of five long-range corrected density functionals, CAM-B3LYP, LC-ωPBE, ωB97, ωB97X and ωB97X-D have been assessed. The high accuracy CCSD(T) methodology is used to benchmark the effect of long-range corrections in polarizability calculations. Among tested functionals, the LC-ω PBE functional is found to outperform others. Moreover, we have compared the performance of long-range corrected functionals with 42 previously tested functionals of various types including local spin density approximation (LSDA), generalized gradient approximation (GGA), meta GGA (MGGA), hybrid GGA (HGGA), and hybrid meta GGA (HMGGA). Our results show that there is a large variation in performance of various functionals in each type for calculations of the dipole polarizabilities. It has been indicated that long-range corrected functionals do not necessarily outperform older functionals, at least for the mean static dipole polarizability studied here. In particular, our extensive analysis shows that the functionals of B98, mPW1PW91, TPSS1KCIS, PBE1KCIS and B3PW91 are the best of all 47 tested density functionals. The results of this investigation can be used as a guidance to propose a new exchange-correlation functional for calculating the optical properties such as polarizability for considered molecules and also for larger transition metal systems. Content Type Journal Article Category Invited Paper Pages 301-311 DOI 10.3233/JCM-2011-0394 Authors Afshan Mohajeri, Department of Chemistry, College of Sciences, Shiraz University, Shiraz, Iran Mojtaba Alipour, Department of Chemistry, College of Sciences, Shiraz University, Shiraz, Iran Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 5-6 / 2011

Beschreibung: Integral transformation kernels having convolution forms exp[−α (t −τ)]erex [β (t − τ)]^{1 / 2} and exp[−α (t − τ)]daw {[β (t − τ)]^{1 / 2}}, where erex(z) = exp(z^{2})erfc(z), daw(z) is the Dawson integral, and α ⩾ 0 and β ⩾ 0, occur in integral equations of Volterra type, pertinent to electroanalytical chemistry. An ability to solve this sort of integral equations has been added to the recently developed adaptive Huber method. Relevant formulae for the method coefficients are reported, and computational tests of the convergence and numerical stability of the method for these kernels are presented. Practical accuracy orders are close to 2. In cases when integral equations contain contributions from the kernel exp[−α (t − τ)]daw {[β (t − τ )]^{1 / 2}}, such that the total kernels are increasing functions of t − τ, the method may become unstable. In cases when α 〉 0, β 〉 0, β/α≫1 and integration steps are very small, β/α cannot exceed a certain threshold due to machine precision. Similarly, in the case of kernel exp[− α (t − τ)]erex:{[β (t − τ)]^{1 / 2}}, when α 〉 0, β 〉 0, α ≠ β, but α} is very close to β, |β /α− 1| cannot be smaller than a certain threshold. Content Type Journal Article Pages 323-338 DOI 10.3233/JCM-2011-0391 Authors Lesław K. Bieniasz, Faculty of Physics, Mathematics, and Computer Science, Cracow University of Technology, ul. Warszawska~24, Cracow, Poland Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 5-6 / 2011

Beschreibung: The Proposed Global Fuel Tax on Aviation - A Deficit of Judgment (Ruwantissa Abeyratne) 273 Reflections on Rüdiger Wolfrum at Seventy 280 International Law and Disappearing States - Maritime Zones and the Criteria for Statehood (Rosemary Rayfuse) 281 Content Type Journal Article Pages 273-287 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 6 / 2011

Beschreibung: UNCSD (Rio+20) - Legal and Policy Dimensions of Sustainable Development "Expected Contribution of Rio+20" (Sha Zukang) 244 UNCSD (Rio+20) - Prospects for Environmental Law and Governance at the Summit and Beyond "Introduction" (Jonas Ebbesson) 247 UNCSD (Rio+20) - The Anthropocene Era and the Evolution of International Law and Governance (Bo Kjellén) 247 UNCSD (Rio+20) - Looking Past Rio+20 "Options for Environmental Governance" (Dinah Shelton) 251 IPBES / SOP-1 - An Encouraging Start "Donald W. Kaniaru" 257 UNFCCC - Last Stop in Preparation for Durban "Parties Examine Major Gaps" (Soledad Aguilar) 258 UNPFII - A Brief Review of the Tenth Session (Elsa Tsioumani) 260 Basel Convention/ COP-10 - Multilateralism Works! (Marcos A. Orellana and Hana Heineken) 261 WIPO / IGC - Update on Negotiations in 2011 (Elsa Tsioumani) 263 Mercury / INC-3 - Further Progress Planned on Global Mercury Controls 265 UNEP / Chemical Conventions - Opportunity to Strengthen Environmental Governance (Jim Willis) 267 CITES - Is it Time for a Financial Mechanism? (John Scanlon) 271 Content Type Journal Article Pages 244-272 Journal Environmental Policy and Law Online ISSN 1878-5395 Print ISSN 0378-777X Journal Volume Volume 41 Journal Issue Volume 41, Number 6 / 2011

Beschreibung: A series of reports has been published previously for several last years on the nonlinear hyper-Rayleigh (HR) collisional light scattering in molecular media composed of interacting atomic and atomic-diatomic compounds. The presented study continues and extends these theoretical and numerical analyses. Especially, a careful insight into the spectral properties of the most recent case considered – the HR scattering in H_2-Ne gas mixtures – is given by calculating and examining a complete set of spectral line contributions related to symmetry adapted (SA) components of the collisional first hyperpolarizability tensor Δβ^{(K)}_{Λ L}. The influence of the Δ β_{Λ L}^{(K)}(R) functional behavior on the HR spectral line shapes is found and characterized in details. A possibility of estimating numerical values of the SA contributions is discussed. Moreover, the long distance functional dependencies of Δ β (R), obtained by means of the numerical quantum chemistry methods, are confronted with those derived on the basis of an analytical approach within the molecular interaction models proposed at the early stage of development of the collisional nonlinear spectroscopy by Kielich and coworkers. Content Type Journal Article Pages 339-352 DOI 10.3233/JCM-2011-0392 Authors Waldemar Głaz, Nonlinear Optics Division, Faculty of Physics, Adam Mickiewicz University, Poznań, Poland. E-mail: glaz@kielich.amu.edu.pl Journal Journal of Computational Methods in Science and Engineering Online ISSN 1875-8983 Print ISSN 1472-7978 Journal Volume Volume 11 Journal Issue Volume 11, Number 5-6 / 2011