Intermolecular Interactions From Diatomics To Biopolymers
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Intermolecular Interactions From Diatomics To Biopolymers
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Author : Bernard Pullman
language : en
Publisher: John Wiley & Sons
Release Date : 1978
Intermolecular Interactions From Diatomics To Biopolymers written by Bernard Pullman and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 1978 with Science categories.
Intermolecular Forces
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Author : A. Pullman
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-06-29
Intermolecular Forces written by A. Pullman and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-06-29 with Science categories.
Proceedings of the 14th Jerusalem Symposium on Quantum Chemistry and Biochemistry, Jerusalem, Israel, April 13-16, 1981
Phenomena Induced By Intermolecular Interactions
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Author : G. Birnbaum
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-09
Phenomena Induced By Intermolecular Interactions written by G. Birnbaum and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-09 with Computers categories.
This book is concerned with recent experimental and theoretical work dealing with phenomena created by the transient dipoles and polarizabilities produced by intermolecular interactions. The for mer produce absorption from the microwave to the optical regions of the spectrum and the latter produce Rayleigh and Raman scattering; such absorption and scattering would be absent without collisions. Static properties, such as dielectric constant, refractive index, and Kerr effect, also exhibit the effects of induced dipoles and polarizabilities. The first observation of an infrared absorption spectrum pro duced by the collisions of molecules which ordinarily do not have an allowed dipole transition was reported in 1949 (Crawford, Welsh, and Locke). The first observation of depolarized Rayleigh spectra due to collisions in atomic gases appeared in 1968 (McTague and Birnbaum). However, it was not until 1977 that the first conference dealing with collision-induced phenomena was organized by J. D. Poll at the University of Guelph. This conference was mainly concerned with studies of collision-induced absorption in gases. Light scat tering received more attention at the second meeting of the colli sion-induced community in 1978, at the E. Fermi Summer School on "Intermolecular Spectroscopy and Dynamical Properties of Dense Sys tems," organized by J. Van Kranendonk. However, the emphasis was still on collision-induced absorption in compressed gases, although some work on liquids, solid H , and related subjects such as ro 2 tational relaxation was included. The third induced phenomena con ference, organized by F.
The Theory Of Intermolecular Forces
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Author : Anthony Stone
language : en
Publisher: OUP Oxford
Release Date : 2013-02-01
The Theory Of Intermolecular Forces written by Anthony Stone and has been published by OUP Oxford this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-02-01 with Science categories.
The theory of intermolecular forces has advanced very greatly in recent years. It has become possible to carry out accurate calculations of intermolecular forces for molecules of useful size, and to apply the results to important practical applications such as understanding protein structure and function, and predicting the structures of molecular crystals. The Theory of Intermolecular Forces sets out the mathematical techniques that are needed to describe and calculate intermolecular interactions and to handle the more elaborate mathematical models. It describes the methods that are used to calculate them, including recent developments in the use of density functional theory and symmetry-adapted perturbation theory. The use of higher-rank multipole moments to describe electrostatic interactions is explained in both Cartesian and spherical tensor formalism, and methods that avoid the multipole expansion are also discussed. Modern ab initio perturbation theory methods for the calculation of intermolecular interactions are discussed in detail, and methods for calculating properties of molecular clusters and condensed matter for comparison with experiment are surveyed.
Molecular Materials With Specific Interactions Modeling And Design
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Author : W. Andrzej Sokalski
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-05-06
Molecular Materials With Specific Interactions Modeling And Design written by W. Andrzej Sokalski and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-05-06 with Science categories.
"Molecular Materials with Specific Interactions: Modeling and Design" has a very interdisciplinary character and is intended to provide basic information as well as the details of theory and examples of its application to experimentalists and theoreticians interested in modeling molecular properties and putting into practice rational design of new materials. One of the first requirements to initiate the molecular modeling of molecular materials is an accurate and realistic description of the electronic structure, intermolecular interactions and chemical reactions at microscopic and macroscopic scale. Therefore the first four chapters contain an extensive introduction into the latest theories of intermolecular interactions, functional density techniques, microscopic and mezoscopic modeling techniques as well as first-principle molecular dynamics. In the following chapters, techniques bridging microscopic and mezoscopic modeling scales are presented. The authors then illustrate various successful applications of molecular design of new materials, drugs, biocatalysts, etc. before presenting challenging topics in molecular materials design.
Intermolecular Forces And Their Evaluation By Perturbation Theory
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Author : P. Arrighini
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Intermolecular Forces And Their Evaluation By Perturbation Theory written by P. Arrighini and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
The aim of these notes is to offer a modern picture of the pertur bative approach to the calculation of intermolecular forces. The point of view taken is that a perturbative series truncated at a low order can provide a valuable way for ~valuating interaction energies, especial ly if one limits oneself to the case of intermediate- and long-range distances between the interacting partners. Although the situation corresponding to short distances is essen tially left out from our presentation, the problems which are within the range of the theory form a vast and important class: a large var iety of phenomena of matter, in fact, depends on the existence of in teractions among atoms or molecules, which over a substantial range of distances should be classified as weak in comparison to the interactions occurring inside atoms or molecules. We are aware of the omission of some topics, which in principle could have been included in our review. For instance, a very scarce at tention has been paid to the analysis of problems involving interacting partners in degenerate states, which is of particular relevance in the case of interactions between excited atoms (only a rather quick presen tation of the formal apparatus of degenerate perturbation theory is in cluded in Chap. III). Interactions involving the simultaneous presence of more than two atoms (or mOlecules) have not been considered, with the consequent non-necessity of considering nonadditive effects which characterize the general N-body problem.
Interaction Induced Electric Properties Of Van Der Waals Complexes
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Author : Victor N. Cherepanov
language : en
Publisher: Springer
Release Date : 2016-11-16
Interaction Induced Electric Properties Of Van Der Waals Complexes written by Victor N. Cherepanov and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-11-16 with Science categories.
This brief explains the theory of the interaction-induced electrical properties of van der Waals complexes. It focuses on the interaction-induced electrical dipole moments, polarizabilities and first hyperpolarizabilities of atom-atomic, atom-molecular and molecular-molecular van der Waals complexes.
Solvation Effects On Molecules And Biomolecules
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Author : Sylvio Canuto
language : en
Publisher: Springer Science & Business Media
Release Date : 2010-07-03
Solvation Effects On Molecules And Biomolecules written by Sylvio Canuto and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-07-03 with Science categories.
This volume is an interdisciplinary treatise on the theoretical approach to solvation problems. It describes the essential details of the theoretical methods and places them into the context of modern applications, and hence is of broad interest to theoreticians and experimentalists. The assembly of these modern methods and applications into one volume is a unique contribution to date and gives a broad and ample description of the field in its present stage of development.
Advances In Quantum Chemistry
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Author :
language : en
Publisher: Academic Press
Release Date : 1985-03-29
Advances In Quantum Chemistry written by and has been published by Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1985-03-29 with Science categories.
Advances in Quantum Chemistry
Polyamic Acids And Polyimides
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Author : Michael I. Bessonov
language : en
Publisher: CRC Press
Release Date : 2020-11-25
Polyamic Acids And Polyimides written by Michael I. Bessonov and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-11-25 with Science categories.
Polyamic Acids and Polyimides surveys significant developments in basic research in the chemistry and physics of polyamic acids and polyimides over the last several years. Traditional and new topics are discussed, including catalytical imidization, chemical reactions at thermal treatment, quantum-chemical study of synthesis and structure, properties of isolated molecules, and supermolecular and crystalline structures. The book will be an excellent reference for researchers, practitioners, and graduate students working with polyimides and related heat-resistant polymers and materials.