Intermolecular Interactions
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Intermolecular Interactions
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Author : Ilya G. Kaplan
language : en
Publisher: John Wiley & Sons
Release Date : 2006-05-01
Intermolecular Interactions written by Ilya G. Kaplan 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 2006-05-01 with Science categories.
The subject of this book — intermolecular interactions — is as important in physics as in chemistry and molecular biology. Intermolecular interactions are responsible for the existence of liquids and solids in nature. They determine the physical and chemical properties of gases, liquids, and crystals, the stability of chemical complexes and biological compounds. In the first two chapters of this book, the detailed qualitative description of different types of intermolecular forces at large, intermediate and short-range distances is presented. For the first time in the monographic literature, the temperature dependence of the dispersion forces is discussed, and it is shown that at finite temperatures the famous Casimir-Polder asymptotic formula is correct only at narrow distance range. The author has aimed to make the presentation understandable to a broad scope of readers without oversimplification. In Chapter 3, the methods of quantitative calculation of the intermolecular interactions are discussed and modern achievements are presented. This chapter should be helpful for scientists performing computer calculations of many-electron systems. The last two chapters are devoted to the many-body effects and model potentials. More than 50 model potentials exploited for processing experimental data and computer simulation in different fields of physics, chemistry and molecular biology are represented. The widely used global optimisation methods: simulated annealing, diffusion equation method, basin-hopping algorithm, and genetic algorithm are described in detail. Significant efforts have been made to present the book in a self-sufficient way for readers. All the necessary mathematical apparatus, including vector and tensor calculus and the elements of the group theory, as well as the main methods used for quantal calculation of many-electron systems are presented in the appendices.
Intermolecular Forces
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Author : Pierre L. Huyskens
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Intermolecular Forces written by Pierre L. Huyskens 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 study of intermolecular forces began over one hundred years ago in 1873 with the famous thesis of van der Waals. In recent decades, knowledge of this field has expanded due to intensive research into both its theoretical and the experimental aspects. This is particularly true for the type of very strong cohesive force stressed in 1920 by Latimer and Rodebush: the hydrogen bond, a phenomenon already outlined in 1912 by Moore and Winemill. Hydrogen bonds exert a profound influence on most of the physical and chemical properties of the materials in which they are formed. Not only do they govern viscosity and electrical conductivity, they also intervene in the chemical reaction path which determines the kinetics of chemical processes. The properties of chemical substances depend to a large extent on intermolecular forces. In spite of this fundamental fact, too little attention is given to these properties both in research and in university teaching. For instance, in the field of pharmaceutical research, about 13000 compounds need to be studied in order to find a single new product that can be successfully marketed. The recognition of the need to optimize industrial research efficiency has led to a growing interest in promoting the study of inter molecular forces. Rising salary costs in industry have encou raged an interest in theoretical ideas which will lead to tailor made materials.
Intermolecular Interactions
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Author : Werner Gans
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-17
Intermolecular Interactions written by Werner Gans 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 2013-04-17 with Science categories.
Proceedings of the Second Structural Chemistry Indaba held in Kruger Park, South Africa, August 3-8, 1997
Intermolecular Interactions In Crystals
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Author : Juan Novoa
language : en
Publisher: Royal Society of Chemistry
Release Date : 2017-10-27
Intermolecular Interactions In Crystals written by Juan Novoa and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-10-27 with Science categories.
This new book brings together the latest information on intermolecular bonding within molecular crystals, providing a very useful introductory text for graduates.
The Theory Of Intermolecular Forces
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Author : Anthony J. Stone
language : en
Publisher: Oxford University Press, USA
Release Date : 2013-01-31
The Theory Of Intermolecular Forces written by Anthony J. Stone and has been published by Oxford University Press, USA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-01-31 with Science categories.
The Theory of Intermolecular Forces sets out the mathematical techniques needed to describe and calculate intermolecular interactions in physics and chemistry, and to handle the more elaborate mathematical models used to represent them.
Understanding Intermolecular Interactions In The Solid State
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Author : Deepak Chopra
language : en
Publisher: Royal Society of Chemistry
Release Date : 2018-09-04
Understanding Intermolecular Interactions In The Solid State written by Deepak Chopra and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-09-04 with Science categories.
Technological and computational advances in the past decade have meant a vast increase in the study of crystalline matter in both organic, inorganic and organometallic molecules. These studies revealed information about the conformation of molecules and their coordination geometry as well as the role of intermolecular interactions in molecular packing especially in the presence of different intermolecular interactions in solids. This resulting knowledge plays a significant role in the design of improved medicinal, mechanical, and electronic properties of single and multi-component solids in their crystalline state. Understanding Intermolecular Interactions in the Solid State explores the different techniques used to investigate the interactions, including hydrogen and halogen bonds, lone pair–pi, and pi–pi interactions, and their role in crystal formation. From experimental to computational approaches, the book covers the latest techniques in crystallography, ranging from high pressure and in situ crystallization to crystal structure prediction and charge density analysis. Thus this book provides a strong introductory platform to those new to this field and an overview for those already working in the area. A useful resource for higher level undergraduates, postgraduates and researchers across crystal engineering, crystallography, physical chemistry, solid-state chemistry, supramolecular chemistry and materials science.
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.
Intra And Intermolecular Interactions Between Non Covalently Bonded Species
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Author : Elliot R. Bernstein
language : en
Publisher: Elsevier
Release Date : 2020-09-10
Intra And Intermolecular Interactions Between Non Covalently Bonded Species written by Elliot R. Bernstein and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-09-10 with Science categories.
The study of gases, clusters, liquids, and solids as units or systems, eventually focuses on the properties of these systems as governed by interactions between atoms, molecules, and radicals that are not covalently bonded to one another. The stereo/spatial properties of molecular species themselves are similarly controlled, with such interactions found throughout biological, polymeric, and cluster systems and are a central feature of chemical reactions. Nevertheless, these interactions are poorly described and characterized, with efforts to do so, usually based on a particular quantum or even classical mechanical procedure, obscuring the fundamental nature of the interactions in the process. Intra- and Intermolecular Interactions Between Noncovalently Bonded Species addresses this issue directly, defining the nature of the interactions and discussing how they should and should not be described. It reviews both theoretical developments and experimental procedures in order to explore interactions between nonbonded entities in such a fundamental manner as to elucidate their nature and origins. Drawing attention to the extensive experience of its editor and team of expert authors, Intra- and Intermolecular Interactions Between Noncovalently Bonded Species is an indispensable guide to the foundational knowledge, latest advances, most pressing challenges, and future directions for all those whose work is influenced by these interactions. Comprehensively describes the nature of interactions between nonbonded species in biological systems, liquids, crystals, clusters, and in particular, water. Combines fundamental, theoretical, background information based on various approximations with the knowledge of experimental techniques. Outlines interactions clearly and consistently with a particular focus on frequency and time-resolved spectroscopies as applied to these interactions.
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
Specific Intermolecular Interactions Of Organic Compounds
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Author : Alexei K. Baev
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-01-13
Specific Intermolecular Interactions Of Organic Compounds written by Alexei K. Baev 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 2012-01-13 with Science categories.
Prof. Baev presents in his book the development of the thermodynamic theory of specific intermolecular interactions for a wide spectrum of organic compounds: ethers, ketones, alcohols, carboxylic acids, and hydrocarbons. The fundamentals of an unconventional approach to the theory of H-bonding and specific interactions are formulated based on a concept of pentacoordinate carbon atoms. New types of hydrogen bonds and specific interactions are substantiated and on the basis of the developed methodology their energies are determined. The system of interconnected quantitative characteristics of the stability of specific intermolecular interactions is presented. The laws of their transformations are discussed and summarized. The new concept of the extra stabilizing effect of isomeric methyl groups on the structure and stability of organic molecules is introduced and the destabilization action on specific interactions is outlined.