Structure and dynamics of molecular systems
著者
書誌事項
Structure and dynamics of molecular systems
D. Reidel , Sold and distributed in the U.S.A. and Canada by Kluwer, c1985-c1986
- [v. 1]
- v. 2
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注記
"Invited lectures given at the international seminar of the same title held at the Centre de mécanique ondulatoire appliquée du Centre national de la recherche scientifique in Paris (France) from October 1983 to May 1985."--Pref
Includes bibliographies and indexes
内容説明・目次
- 巻冊次
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[v. 1] ISBN 9789027719775
内容説明
This volume is the first of a set of two which contain the invited lectures given at the international seminar of the same title held at the Centre de Mecanique Ondulatoire Appliquee du Centre National de la Recherche Scientifique in Paris (France) from October 1983 to May 1985. They are intended to provide a survey of topics of current interest relative to the structure and the dynamics of molecular systems. The papers have been selected on the basis of their relevance to the following four topics: i) molecular conformations and transformations; ii) molecular relaxation and motion; iii) charge, spin and momentum distributions in molecular solids; iv) collective phenomena in condensed matter. The first volume deals f)1ostly with the first two topics, the second volume mostly with the last two. Each volume consists of about fifteen self contained, reference contributions covering recent achievements in active branches of molecular physics and physical chemistry. The first four papers of the present volume deal with theoretical aspects of structure and reactivity problems, with particular attention being paid to topology considerations, which have joined symmetry con siderations as an important tool in approaching chemistry problems. The treatment of nuclear probability density distributions is performed on a model basis for a simple system, even though it has come to the attention of theoreticians through experimental results for complex systems.
目次
From Theoretical Chemistry to Molecular Shape and Reactive Transformation.- Theoretical Determination of Nuclear Probability Density Distributions: Two-Rotor Molecules.- Topological Theory of Molecular Conformations.- Topological Model of Reaction Mechanisms.- Reactions in Disordered Media.- Random Walks on Fractals.- Localization of Excitonic Eigenstates in Molecular Crystals.- Fusion and Transfer of Triplet Excitons in Isotopically Mixed Naphthalene Crystals.- Concentration Dependences of Homogeneous Broadenings and Cross-Relaxation Rates in Condensed Media: The Role of Pair Distributions.- The Effect of Spectral Diffusion on the Saturation Transient Regime.- Simulation of the Electron Spin Resonance Spectra of Spin-Labeled Fatty Acids in Protein-Containing Model Membranes.- Nuclear Magnetic Resonance and Molecular Motions in Lyotropic Liquid Crystals.- NMR Studies of the Gel Phase of Lecithins and Cephalins.- Interpretation of Proton N.M.R. Spin-Lattice Relaxation Time Minima in Heterogeneous Systems by the Effects of Bounded Two-Dimensional Diffusion. Comparison with Neutron Scattering Measurements.- Theory of Spin Relaxation by Translational Diffusion in Two-Dimensional Systems.- Index of Subjects.- Index of Names.
- 巻冊次
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v. 2 ISBN 9789027722461
内容説明
This volume is the second of a set of two which contain 28 selected from the l. j. O invited lectures given at the internatim;al seminar of the same title held at the Centre de Mecanique Ondulatoire Appliquee du Centre National de la Recherche Scientifique in Paris (France) from October 1983 to May 1985. They are intended to provide a survey of topics of current interest relative to the structure and the dynamics of molecular systems. The papers have been selected on the basis of their relevance to the following four topics: i) molecular conformations and transformations; H) molecular relaxation and motion; iii) charge, spin and momentum distributions and intermolecular interactions; iv) collective phenomena in condensed matter. The first volume deals mostly with the first two topics, the second volume mostly with the last two. The two volumes consist of an approximately equal number of self-con tained, reference contributions covering recent achievements in active branches of molecular physics and physical chemistry. The first two papers of the present volume deal with theoretical aspects of intermolecular interactions: the first paper with the physical origin of the so-called non-exchange molecular terms, a complete deriva tion of which is given using Rayleigh-Schrodinger second-order perturba tion theory; the second paper with the symmetry analysis of the effects of interactions between rigid molecules and crystal environments, using the isodynamic-group theoretical approach devised by Altmann for non rigid systems.
目次
- Molecular Charge Distributions and Response Functions: Multipolar and Penetration Terms
- Application to the Theory of Intermolecular Interactions.- Symmetry Analysis and Conformational Dependence of the Properties of Rigid Molecules Embedded in Crystal Sites.- Experimental versus Theoretical Charge Densities in Molecular Crystals.- Study of Magnetic Structures by X-ray Diffraction.- A New Expectation Value: the Compton Defect, and Its Applications to the Study of Atomic and Molecular Electronic Structures.- Nonlinear Oscillations in Model Symmetric Triatomic Molecules. Intramolecular Relaxation. Effect of a Laser Field.- Spectroscopic Investigation of Local Molecular Motions in Polymers.- NMR Approach to the Observation of Collective Properties in Polymer Systems: Gels and Melts.- Dynamic Properties of Entangled Polymers: the Reptation Model.- New Ideas for Microemulsion Structure: the Talmon-Prager and De Gennes Models.- Fractal Behavior and Dynamics on Percolating Clusters.- Nuclear Magnetic Relaxation in Ionic Conductor Materials.- Theoretical Investigation of Metal Hydrides: Electronic Properties and Superconductivity.- Errata To Volume I.- Index of Subjects.- Index of Names.
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