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  • 1
    Monograph available for loan
    Monograph available for loan
    Ökonomische Aspekte internationaler Klimapolitik : Effizienzgewinne durch Joint Implementation mit China und Indien (1999)
    Heidelberg : Physica-Verlag
    Details Availability
    Call number: PIK B 160-00-0226
    Type of Medium: Monograph available for loan
    Pages: 186 S.
    ISBN: 3790812064
    Series Statement: Umwelt- und Ressourcenökonomie ;
    Location: A 18 - must be ordered
    Branch Library: PIK Library
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  • 2
    Monograph available for loan
    Monograph available for loan
    Archäobotanik : Aufgaben, Methoden und Ergebnisse vegetations- und agrargeschichtlicher Forschung (1999)
    Stuttgart : Ulmer
    Associated volumes
    Details Availability
    Call number: 20/M 00.0383
    In: UTB für Wissenschaft
    Type of Medium: Monograph available for loan
    Pages: 368 S.
    ISBN: 3825281582
    Series Statement: UTB für Wissenschaft 8158
    Classification:
    Soils
    Language: German
    Location: Reading room
    Branch Library: GFZ Library
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  • 3
    Electronic Resource
    Electronic Resource
    Interpretation of x-ray emission spectra: NO adsorbed on Ru(001) (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 4704-4713 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A density functional investigation of the x-ray emission spectrum of NO adsorbed on Ru(001) has been carried out using model cluster calculations. The dipole matrix elements governing the emission probability were evaluated in the frozen ground-state approximation. The resulting simulated spectra exhibit all characteristic features of the experimental data. A detailed analysis of the electronic structure of the model clusters permits a complete rationalization of all observed trends. Furthermore, a picture of the surface chemical bond results in which the classical Blyholder frontier orbital model is extended to a three-orbital description for both the π and σ interactions. Comparison of different adsorption sites reveals that threefold coordinated NO features a stronger orbital interaction with the substrate than NO adsorbed in an on-top position. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.479232
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  • 4
    Electronic Resource
    Electronic Resource
    Density- and density-matrix-based coupled Kohn–Sham methods for dynamic polarizabilities and excitation energies of molecules (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 2785-2799 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Basis set methods for calculating dynamic polarizabilities and excitation energies via coupled Kohn–Sham equations within time-dependent density functional theory are introduced. The methods can be employed after solving the ground state Kohn–Sham equations with a fitting function approach. Successful applications of the methods to test molecules are presented. Coupled Kohn–Sham methods based on the linear response of the Kohn–Sham density matrix are derived from the standard coupled Kohn–Sham equation based on the linear response of the electron density and the relations between the two types of coupled Kohn–Sham equations are investigated. The choice of norm functions associated with basis set representations of the coupled Kohn–Sham equations is discussed and shown to be a critical point of basis set approaches to time-dependent density functional theory. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.477922
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  • 5
    Electronic Resource
    Electronic Resource
    Application of ultrasound for fatigue testing of lightweight alloys (1999)
    Oxford, UK : Blackwell Science Ltd
    Fatigue & fracture of engineering materials & structures 22 (1999), S. 0 
    Details
    ISSN: 1460-2695
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: The use of aluminium and magnesium alloys offers a great potential for weight reduction in automotive applications. Load-bearing car components are subjected to 108 cycles and more during service, and the high-cycle fatigue properties of construction materials are therefore of great interest.The time-saving ultrasound fatigue testing method has been used to study the fatigue properties of a high-pressure, die-cast magnesium alloy AZ91 hp and a post-forged, cast-aluminium alloy AlSi7Mg0.3 in ambient air and saltwater (5wt% sodium chloride) spray. In ambient air, fatigue cracks in AZ91 hp emanate from voids, and it is possible to correlate void areas with the numbers of cycles-to-failure. Post-forging of AlSi7Mg0.3 reduces the numbers and size of voids. The remaining small voids (void areas smaller than 9000 μm2 ) do not significantly reduce lifetimes. Saltwater deteriorates the fatigue properties of both the lightweight alloys. With increasing numbers of cycles, the influence of the corrosive liquid on fatigue strength becomes more pronounced.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1046/j.1460-2695.1999.00205.x
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  • 6
    Electronic Resource
    Electronic Resource
    Evaluation of honey residues from Iron Age hill-top sites in southwestern Germany: Implications for local and regional land use and vegetation dynamics (1999)
    Springer
    Vegetation history and archaeobotany 8 (1999), S. 105-112 
    Details
    ISSN: 1617-6278
    Keywords: Honey ; Pollen analysis ; La Tène ; Iron Age ; Land-use history ; Biodiversity ; Southern Germany
    Source: Springer Online Journal Archives 1860-2000
    Topics: Archaeology , Biology
    Notes: Abstract Organic contents of bronze vessels from royal burial sites dating to the Iron Age in southern Germany were investigated by pollen analysis. All pollen assemblages observed were dominated by non-arboreal pollen of non-wind pollinated species, a characteristic feature of honey. On the basis of investigations on recent honey, estimates of the original amounts of honey present were made. It is suggested that two of the vessels were filled with a freshly prepared, highly concentrated mead, while a third contained possibly a mead or a beverage sweetened by honey. The high diversity of the pollen assemblages differs from recent honeys and points to a high biodiversity in the Iron Age landscapes, but also to the use of honey mixtures that originate from a large area that included the surrounding uplands. Records for several exotic pollen also support this hypothesis. At the Glauberg site, a honey-source area of more than 50-km radius is probable. This corresponds quite well with the average distance between known Celtic centres in central Europe, which is ca. 100 km.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02042848
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  • 7
    Electronic Resource
    Electronic Resource
    Assessment of GCM simulated snow albedo using direct observations (1999)
    Springer
    Climate dynamics 15 (1999), S. 405-418 
    Details
    ISSN: 1432-0894
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract  Annual cycles of monthly albedos simulated with a general circulation model (GCM) are compared with surface observations. The data observed at 35 stations are retrieved from the Global Energy Balance Archive (GEBA) and drawn from the soil moisture and meteorological observations in the former Soviet Union. The model data are obtained with the ECHAM4 GCM in a ten-year simulation of the present-day climate at T106 resolution. The model calculated albedo values are modified before they are compared with the surface observations: They are interpolated to the stations and adjusted to account for altitude differences and fractional forest area. During the snow-free period, the model underestimates the albedo by up to 0.05 at the stations (with values between 0.2 and 0.25 measured over short grass) because the albedo for grassland is too low in the model. During the period with seasonal snow cover, the model underestimates the albedo by up to 0.2 at stations in Russia, Scandinavia and Canada, which experience severe winters. This underestimation is due to an oversimplified parameterization of the snow covered grid fraction and an inadequate linear relation between snow albedo and temperature. The derivative of albedo with respect to the forest fraction implemented in ECHAM is in line with the observations, although a small overestimation of the model’s gradient has been detected.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s003820050290
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  • 8
    Electronic Resource
    Electronic Resource
    Transition metals supported on oxides: density functional cluster studies of palladium deposition on MgO(001) (1999)
    Springer
    Topics in catalysis 9 (1999), S. 153-161 
    Details
    ISSN: 1572-9028
    Keywords: ab initio calculations ; cluter models ; supported metals ; oxides ; palladium ; MgO
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The interaction of isolated Pd atoms and of a square Pd4 cluster with the (001) surface of MgO is investigated by means of density functional (DF) calculations. The oxide surface is represented by various model clusters and the effect of the surrounding is taken into account by embedding the cluster in point charges and total ion model potentials. The calculations are performed at the relativistic level using the Becke–Perdew exchange-correlation functional. The adsorption properties determined with this computational scheme are compared with other DF results. The bonding of the Pd atoms and clusters with the surface is analyzed in terms of charge density difference plots. It is found that the polarization of the metal adsorbate due to the surface electric field provides an important contribution to the metal–oxide adhesion energy.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1019170807979
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  • 9
    Electronic Resource
    Electronic Resource
    Activity of Peroxo and Hydroperoxo Complexes of TiIV in Olefin Epoxidation: A Density Functional Model Study of Energetics and Mechanism (1999)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 1999 (1999), S. 2135-2145 
    Details
    ISSN: 1434-1948
    Keywords: Density functional calculations ; Epoxidation ; Peroxo complexes ; Titanium ; Transition states ; Chemistry ; General Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Epoxidation of olefins by TiIV peroxo and hydroperoxo (alkylperoxo) complexes was investigated using a hybrid DFT method (B3LYP). Reaction energies and activation barriers for direct oxygen transfer to ethylene as a model olefin were computed for various model complexes to compare the epoxidation activity of Ti(η2-O2) and TiOOR (R = H, CH3) moieties. The activity of complexes with a Ti(O2) peroxo group is shown to be essentially quenched when the coordination sphere of the complex is saturated by strongly basic (σ-donor) ligands. In contrast, the activity of a TiOOH functional group depends only weakly on the saturation of the coordination sphere of the Ti center. Substitution of methyl for hydrogen in a TiOOH group is found to slightly increase the activation barrier of epoxidation. The computational results give preference to reaction paths that involve TiOOR species. The factors governing the activity of Ti(O2) and TiOOR groups, in particular the effects of donor ligands, are discussed on the basis of a molecular orbital analysis.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
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  • 10
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    Synthesis of Isoindolo[2,1-a]indoles by the Palladium-Catalyzed Annulation of Internal Alkynes (1999)
    American Chemical Society
    Details
    Publication Date: 1999-11-01
    Print ISSN: 1523-7060
    Electronic ISSN: 1523-7052
    Topics: Chemistry and Pharmacology
    Published by American Chemical Society
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