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  • Theoretical, Physical and Computational Chemistry  (1,282)
  • Geophysics  (469)
  • 1995-1999  (1,751)
  • 1955-1959
  • 1950-1954
  • 1935-1939
  • 1998  (853)
  • 1997  (898)
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  • 1995-1999  (1,751)
  • 1955-1959
  • 1950-1954
  • 1935-1939
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  • 1
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    London : The Geological Society
    Keywords: Petrophysik ; Geophysics ; Petroleum - Geology ; Petroleum engineering ; Rocks
    Description / Table of Contents: P. D. Jackson, D. G. Gunn, R. C. Flint, D. Beamish, P. I. Meldrum, M. A. Lovell, P. K. Harvey, and A. Peyton: A non-contacting resistivity imaging method for characterizing whole round core while in its liner / Geological Society, London, Special Publications, 122:1-10, doi:10.1144/GSL.SP.1997.122.01.01 --- D. J. Prosser, A. Hurst, and M. R. Wilson: One-man-operable probe permeameters / Geological Society, London, Special Publications, 122:11-18, doi:10.1144/GSL.SP.1997.122.01.02 --- S. R. McDougall, A. B. Dixit, and K. S. Sorbie: Network analogues of wettability at the pore scale / Geological Society, London, Special Publications, 122:19-35, doi:10.1144/GSL.SP.1997.122.01.03 --- S. Pugliese and N. Petford: Pore-structure visualization in microdioritic enclaves / Geological Society, London, Special Publications, 122:37-46, doi:10.1144/GSL.SP.1997.122.01.04 --- Paul B. Basan, Ben D. Lowden, Peter R. Whattler, and John J. Attard: Pore-size data in petrophysics: a perspective on the measurement of pore geometry / Geological Society, London, Special Publications, 122:47-67, doi:10.1144/GSL.SP.1997.122.01.05 --- M. S. King, A. Shakeel, and N. A. Chaudhry: Acoustic wave propagation and permeability in sandstones with systems of aligned cracks / Geological Society, London, Special Publications, 122:69-85, doi:10.1144/GSL.SP.1997.122.01.06 --- Shiyu Xu, Just Doorenbos, Sue Raikes, and Roy White: A simple but powerful model for simulating elastic wave velocities in clastic Silicate rocks / Geological Society, London, Special Publications, 122:87-105, doi:10.1144/GSL.SP.1997.122.01.07 --- T. Apuani, M. S. King, C. Butenuth, and M. H. De Freitas: Measurements of the relationship between Sonic wave velocities and tensile strength in Anisotropic rock / Geological Society, London, Special Publications, 122:107-119, doi:10.1144/GSL.SP.1997.122.01.08 --- C. McCann, J. Sothcott, and S. B. Assefa: Prediction of petrophysical properties from seismic quality factor measurements / Geological Society, London, Special Publications, 122:121-130, doi:10.1144/GSL.SP.1997.122.01.09 --- Y. F. Sun and D. Goldberg: Estimation of aspect-ratio changes with pressure from seismic velocities / Geological Society, London, Special Publications, 122:131-139, doi:10.1144/GSL.SP.1997.122.01.10 --- P. K. Harvey, M. A. Lovell, J. C. Lofts, P. A. Pezard, and J. F. Bristow: Petrophysical estimation from downhole Mineralogy logs / Geological Society, London, Special Publications, 122:141-157, doi:10.1144/GSL.SP.1997.122.01.11 --- Paul F. Worthington: Petrophysical estimation of permeability as a function of scale / Geological Society, London, Special Publications, 122:159-168, doi:10.1144/GSL.SP.1997.122.01.12 --- C. A. Gonçalves, P. K. Harvey, and M. A. Lovell: Prediction of petrophysical parameter logs using a multilayer backpropagation neural network / Geological Society, London, Special Publications, 122:169-180, doi:10.1144/GSL.SP.1997.122.01.13 --- Brian P. Moss: The partitioning of petrophysical data: a review / Geological Society, London, Special Publications, 122:181-252, doi:10.1144/GSL.SP.1997.122.01.14 --- A. Revil, P. A. Pezard, and M. Darot: Electrical conductivity, spontaneous potential and ionic diffusion in porous media / Geological Society, London, Special Publications, 122:253-275, doi:10.1144/GSL.SP.1997.122.01.15 --- Brígida Ramati P. Da Rocha and Tarek M. Habashy: Fractal Geometry, porosity and complex resistivity: from rough pore interfaces to hand specimens / Geological Society, London, Special Publications, 122:277-286, doi:10.1144/GSL.SP.1997.122.01.16 --- Brígida Ramati P. Da Rocha and Tarek M. Habashy: Fractal Geometry, porosity and complex resistivity: from hand specimen to field data / Geological Society, London, Special Publications, 122:287-297, doi:10.1144/GSL.SP.1997.122.01.17 --- M. Ben Clennell: Tortuosity: a guide through the maze / Geological Society, London, Special Publications, 122:299-344, doi:10.1144/GSL.SP.1997.122.01.18 --- J. C. Lofts, J. Bedford, H. Boulton, J. A. van Doorn, and P. Jeffreys: Feature recognition and the interpretation of images acquired from horizontal wellbores / Geological Society, London, Special Publications, 122:345-365, doi:10.1144/GSL.SP.1997.122.01.19 --- D. Goldberg and Y. F. Sun: Scattering attenuation as a function of depth in the Upper Oceanic Crust / Geological Society, London, Special Publications, 122:367-375, doi:10.1144/GSL.SP.1997.122.01.20 --- N. Passas, C. Butenuth, and M. H. De Freitas: An application of the Moiré Method to a study of local strains during rock failure in tension / Geological Society, London, Special Publications, 122:377-388, doi:10.1144/GSL.SP.1997.122.01.21
    Pages: Online-Ressource (VII, 393 Seiten) , Illustrationen, Diagramme, Karten
    ISBN: 1897799810
    Language: English
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  • 2
    ISSN: 1610-2924
    Keywords: Geophysics ; Numerical modelling ; Visualization ; Language ; Convection
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Notes: Abstract It was known that deep within numbers and binary data from simulations of geophysical convective flows resided various patterns. Two models of convective fluid flows were being considered. One was a model of two-dimensional (768 × 256) air convection with finite Prandtl number of one and Rayleigh number of 108−1010, and another was a model of three-dimensional (up to 120 × 120 × 90) mantle convection with infinite Prandtl number and Rayleigh number of 106−108. Clearly, phenomena existed which superceded each individual dimensionless computer model to provide a piece of information regarding actual fluid flows. The problem was how to find, prove, and communicate these patterns and phenomena for convection simulations with gigabytes of data. In a search for such an analytical and communicative tool, the alternative of visualization was considered. The need for visualization was recognized and discussed. Then, utilizing both two- and three-dimensional models of high Rayleigh number convection, basic techniques of style and content were developed. Applications of the visualization techniques were designed utilizing IBM’s Data Explorer in order to create communicative images and movies, and after the applications, the problems of data storage and transfer became apparent. Throughout the process though, it became clear how important the language of vision actually could be in the geophysics community. In a field in which words such as plumes and internal waves have in ways replaced mathematics as the basic language for science, there is a need for another resource, another language-the visualization of convective fluid flows.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 10 (1997), S. 305-310 
    ISSN: 0894-3230
    Keywords: non-covalent interactions ; host-guest complexes ; fluorinated phenyl compounds ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Complexation constants with the macrocyclic azoniacyclophane CP44 and phenyl guest compounds with at least four fluorine atoms or alternatively protons at the ring were obtained by NMR shift titrations in water. The fluorinated compounds show free energies of complexation which are smaller by ΔΔG=3·4-7·7 kJ mol-1 in comparison with the protonated compounds. The NMR shifts induced upon 100% complexation (CIS values) were obtained simultaneously from non-linear least-squares fitting and indicate intra-cavity inclusion in all cases. The CIS values agree roughly with screening constants calculated from aromatic ring current and linear electric field effects, the latter resulting from the permanent charges at the host compound. Molecular mechanics calculations (CHARMm) indicate that intracavity inclusion is possible with all compounds with negligible strain induced (〈1 kJ mol-1) in the macrocycle upon complexation. In contrast, α-cyclodextrin can accommodate fluorinated phenyl compounds only at the rim of the cavity without larger strain. Preliminary data with α-cyclodextrin, obtained by competitive UV-visible titration with methyl orange, indicate again a smaller association free energy (ΔΔG=1·-7 kJ mol-1) for pentafluorphenol compared with normal phenol as guest. © 1997 John Wiley & Sons, Ltd.
    Additional Material: 3 Ill.
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  • 4
    ISSN: 0894-3230
    Keywords: hydrophobic cavity characterization ; cyclophanes ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The guest-binding behavior of two different cyclophane hosts, each being capable of providing a three-dimensionally extended hydrophobic cavity toward aromatic guests, was examined in aqueous media: a steroid cyclophane bearing four rigid cholate moieties and an octopus cyclophane having four flexible double-chain segments. Even though the binding constant for 2,7-dihydroxynaphthalene with the steroid cyclophane was comparable to that with the octopus cyclophane, the guest binding modes were very different from each other, as confirmed by 1H NMR spectroscopy. That is, the steroid cyclophane incorporates the guest into its rigid macrocyclic cavity with axial geometry whereas the octopus cyclophane provides a three-dimensional space created by the macrocyclic skeleton and the flexible hydrocarbon chains so that the long axis of the guest becomes more or less perpendicular to the molecular axis of the host upon complexation. Temperature-dependent molecular recognition by these hosts toward 8-anilinonaphthalene-1-sulfonate was examined by means of fluorescence spectroscopy. Characteristic differences in the guest-binding mode between these hosts were sensitively reflected in the thermodynamic entropy change on host-guest complexation and the temperature-dependent microscopic viscosity experienced by the guest at the binding site. © 1997 John Wiley & Sons, Ltd.
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  • 5
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 10 (1997), S. 254-272 
    ISSN: 0894-3230
    Keywords: π-π interactions ; self-assembly ; catenanes ; cyclophanes ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The recent surge of interest in the control of molecular organization in both the solution state (i.e. self-assembly) and the solid state (i.e. crystal engineering) has led researchers to recognize increasingly the importance of weak non-covalent interactions. The design and synthesis of an efficient molecular construction set are dependent upon a very close interplay between x-ray crystallography and synthetic chemistry. π-π Stacking interactions between π-donors, such as hydroquinone, resorcinol or dioxynaphthalene residues, and π-accepting ring systems, such as bipyridinium or π-extended viologen units, can govern the self-assembly of a variety of complexes and interlocked molecular compounds in both the solid and solution states. Non-covalent bonding interactions (i.e. π-π interactions) can be considered as information vectors: they define and rule the self-assembly processes that lead to the formation of the desired molecular and supramolecular architectures, and thereafter they still govern the dynamic processes occurring within the self-assembled structures and superstructures. The manner in which such molecules and supermolecules can contribute to an understanding of non-covalent interactions at both structural and superstructural levels is described, with reference to numerous examples of self-assembly processes in synthesis, of dynamic processes in the solution state, and of the packing of molecules and molecular complexes in the solid state. © 1997 John Wiley & Sons, Ltd.
    Additional Material: 31 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 10 (1997), S. 323-334 
    ISSN: 0894-3230
    Keywords: redox-switched amphiphiles ; ferrocene derivatives ; vesicles ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: ---Thirty ferrocene derivatives were prepared and their ability to form vesicles in aqueous solution when oxidized was assessed. The compounds included alkyl ferrocenylmethyl ether derivatives of the form C10H9FeCH2OR in which R=octyl, dodecyl, tetradecyl, hexadecyl, octadecyl and eicosanyl. One single-tailed amine derivative, C10H9FeCH2NR2, R=octadecyl, was studied. Alkylferrocene derivatives had the form C10H9FeR in which R=butyl, decyl, tetradecyl, hexadecyl, octadecyl, eicosanyl and docosanyl. Sixteen symmetrical 1,1′-disubstituted ferrocenes were also studied. Three ethers were of the form C10H8Fe-1,1′-(CH2OR),2, R=tetradecyl, hexadecyl and octadecyl. Four corresponding dialkyl derivatives of the form C10H8Fe-1,1′-R2, R=decyl, tetradecyl, hexadecyl and octadecyl, were assessed. Finally, a range of 1,1′-disubstituted ferrocene derivatives were analyzed. These all had the form C10H8Fe-1,1′-(COR)2, for which R has the following identities: octyl, tridecyl, pentadecyl and heptadecyl (ketones); heptadecyloxy, 3-cholesteryl and 3-cholestanyl (esters); and two amides, R=NHC18H37 and N(C18H37)2. The alkyl and ether derivatives could be readily oxidized and formed vesicular aggregates upon sonication. The ketones, esters and amides could be oxidized but the ferricenium derivatives did not form stable aggregates. An interesting observation is that the aggregates formed were vesicular whether the ferrocene derivative had one or two alkyl tails. © 1997 John Wiley & Sons, Ltd.
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  • 7
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 10 (1997), S. 273-285 
    ISSN: 0894-3230
    Keywords: cation-π interactions ; calix[n]arenes ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Non-covalent intermolecular forces have been recognized as a very important part of molecular interactions in complex biological systems. The fundamental functions of living matter such as transcription of genetic information in DNA, spatial arrangement of protein molecules, enzymatic functions or immunity system response are enabled owing to the presence of weak non-covalent forces based on hydrogen bonding interactions, van der Waals interactions, electrostatic interactions, hydrophobic effects, etc. Recently, among them so-called "cation-π" interactions have been proved to contribute to the overall binding process in various artificial or biological systems. Calix[n]arenes have emerged as an important family of molecules with promising applications in many branches of chemistry. Because of their suitable molecular preorganization with aromatic units being "concentrated' in a relatively small space, calix[n]arenes represent interesting compounds exhibiting an enhanced ability for cation-π interactions. The importance of such forces in calix[n]arene chemistry is demonstrated here on several recent examples. © 1997 John Wiley & Sons, Ltd.
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  • 8
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 10 (1997), S. 335-342 
    ISSN: 0894-3230
    Keywords: hydrophobic interactions ; aqueous solutions ; living systems ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: ---Evidence is provided for the enormous role of hydrophobic interactions in aqueous solutions. It is concluded that complementary functions of hydrophilic and of hydrophobic species are in continuous operation and that these are a conditio sine qua non for the existence of the liquid. With regard to the supermolecular aggregations, hydrophobic interactions are operative on the highest hierarchic levels of the system organization, i.e. at the interface and at the holes around dissolved hydrophobic species. It is further emphasized that water is essential both for the unity and for the differentiation of each living organism. With regard to its role for the differentiation of the body, the hydrophobic interactions are of paramount importance, notably those provided by amphipathic solutes. The cell membrane is considered to be the result of interactions between the highest hierarchic levels of intracellular and extracellular water. The hydrophobic double layer provides the barriers for the separation of intracellular and extracellular water and at the same time the connections for recognition and for exchange of information between them. The DNA structures obtain conservative boundary conditions for their surrounding water systems which do not freeze at -60 °C. These water systems are dynamically superior to all other parts of the water system of the organism. It is suggested that more knowledge about the abilities of liquid water can be obtained by giving appropriate attention to its properties within the living body. © 1997 John Wiley & Sons, Ltd.
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  • 9
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 10 (1997), S. 343-346 
    ISSN: 0894-3230
    Keywords: charge-transfer complexes ; intrinsic (gas-phase) basicities ; stability ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: ---The standard Gibbs energy changes for the formation of 1:1 charge-transfer complexes between molecular iodine and several bases in solution at 25·0 °C [ΔG0l2(soln)] were determined experimentally. The bases were 2,2,2-trifluoro- ethylamine, cyclopropylamine and 1,1,3,3-tetramethylguanidine. These [ΔG0l2(soln)] values, determined in n-heptane, and also that for the formation of the 1:1 complex between 2,2,2-trifluoroethanethiol and molecular iodine in dichloromethane, were found to follow with excellent precision the correlation equations linking ΔG0l2(soln) and the intrinsic (gas-phase) basicities of N(sp3), N(sp2) and S(sp3) bases. These findings strongly support previous conclusions regarding the relationship between gas-phase and solution reactivity data. © 1997 John Wiley & Sons, Ltd.
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  • 10
    ISSN: 0894-3230
    Keywords: molecular recognition ; non-aqueous titration ; hydrogen bonding ; proton transfer ; pKa shifts ; acid-base catalysis ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Whenever hydrogen bonding is involved in molecular recognition, the possibility of a proton transfer from the donor to the acceptor arises. In most cases the pKa of the donor is far enough above the pKa of the conjugate acid of the acceptor for it to be clear that no proton transfer will occur. However, as the difference between the donor and acceptor pKas decreases, it can become difficult to predict whether a proton transfer will occur. Since most hydrogen bond-driven molecular recognition is studied in low dielectric solvents, non-aqueous titrations can be used to measure the pKas and therefore predict proton transfers. In this paper three studies which involved non-aqueous titrations are summarized. The first deals with distinguishing simple proton transfer from host-guest complex formation. The second involves measuring pKa shifts upon host-guest complex formation. The last is a study of the catalysis of a phosphoryl transfer. In all three scenarios the non-aqueous titration method gave results which would have been difficult to obtain by other means, and which proved crucial for a complete understanding of the molecular recognition process. © 1997 John Wiley & Sons, Ltd.
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