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Author : Bernard Pullman
Publisher : John Wiley & Sons
ISBN 13 :
Total Pages : 472 pages
Book Rating : 4.:/5 (44 download)
Download or read book Intermolecular Interactions, from Diatomics to Biopolymers written by Bernard Pullman and published by John Wiley & Sons. This book was released on 1978 with total page 472 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher :
ISBN 13 :
Total Pages : 447 pages
Book Rating : 4.:/5 (163 download)
Download or read book Intermolecular Interactions, from diatomics to biopolymer written by and published by . This book was released on 1978 with total page 447 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : A. Pullman
Publisher : Springer Science & Business Media
ISBN 13 : 9401576580
Total Pages : 562 pages
Book Rating : 4.4/5 (15 download)
Download or read book Intermolecular Forces written by A. Pullman and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: Proceedings of the 14th Jerusalem Symposium on Quantum Chemistry and Biochemistry, Jerusalem, Israel, April 13-16, 1981
Author : Anthony Stone
Publisher : OUP Oxford
ISBN 13 : 0191652954
Total Pages : 352 pages
Book Rating : 4.1/5 (916 download)
Download or read book The Theory of Intermolecular Forces written by Anthony Stone and published by OUP Oxford. This book was released on 2013-02-01 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : Maria Germanovna Semenova
Publisher : CRC Press
ISBN 13 : 1466562056
Total Pages : 369 pages
Book Rating : 4.4/5 (665 download)
Download or read book Biopolymers in Food Colloids: Thermodynamics and Molecular Interactions written by Maria Germanovna Semenova and published by CRC Press. This book was released on 2010-01-13 with total page 369 pages. Available in PDF, EPUB and Kindle. Book excerpt: The theme and contents of this book have assumed a new significance in the light of recent ideas on nanoscience and nanotechnology, which are now beginning to influence developments in food research and food processing. The fabrication of nanoscale structures for food use relies on an in-depth understanding of thermodynamically driven interactions
Author : P. Arrighini
Publisher : Springer Science & Business Media
ISBN 13 : 3642931820
Total Pages : 254 pages
Book Rating : 4.6/5 (429 download)
Download or read book Intermolecular Forces and Their Evaluation by Perturbation Theory written by P. Arrighini and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 254 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : G. Birnbaum
Publisher : Springer Science & Business Media
ISBN 13 : 1461325110
Total Pages : 784 pages
Book Rating : 4.4/5 (613 download)
Download or read book Phenomena Induced by Intermolecular Interactions written by G. Birnbaum and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 784 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Author : W. Andrzej Sokalski
Publisher : Springer Science & Business Media
ISBN 13 : 140205372X
Total Pages : 597 pages
Book Rating : 4.4/5 (2 download)
Download or read book Molecular Materials with Specific Interactions - Modeling and Design written by W. Andrzej Sokalski and published by Springer Science & Business Media. This book was released on 2007-05-06 with total page 597 pages. Available in PDF, EPUB and Kindle. Book excerpt: Design of new molecular materials is emerging as a new interdisciplinary research field. Corresponding reports are scattered in literature, and this book constitutes one of the first attempts to overview ongoing research efforts. It provides 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.
Author :
Publisher :
ISBN 13 :
Total Pages : 456 pages
Book Rating : 4.0/5 ( download)
Download or read book Molecular Interactions written by and published by . This book was released on 1980 with total page 456 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Perla Balbuena
Publisher : Elsevier
ISBN 13 : 0080536840
Total Pages : 971 pages
Book Rating : 4.0/5 (85 download)
Download or read book Molecular Dynamics written by Perla Balbuena and published by Elsevier. This book was released on 1999-04-22 with total page 971 pages. Available in PDF, EPUB and Kindle. Book excerpt: The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).Features of this book:• Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD• Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers• Provides chemical reactions, interfaces, catalysis, surface phenomena and solidsAlthough the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.
Author : G.Naray- Naray-Szabo
Publisher : CRC Press
ISBN 13 : 1351093797
Total Pages : 286 pages
Book Rating : 4.3/5 (51 download)
Download or read book Steric Aspects Of Biomolecular Interactions written by G.Naray- Naray-Szabo and published by CRC Press. This book was released on 2018-01-18 with total page 286 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present volume deals with the application of the following techniques; computational chemistry, X-ray diffraction, and two-dimensional nuclear magnetic resonance. The book will discuss how these methods can be used to study steric aspects of biomolecular interactions.
Author : Pierre Bongrand
Publisher : CRC Press
ISBN 13 : 1351092472
Total Pages : 489 pages
Book Rating : 4.3/5 (51 download)
Download or read book Physical Basis of Cell-Cell Adhesion written by Pierre Bongrand and published by CRC Press. This book was released on 2018-02-01 with total page 489 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Present book is aimed at providing a readable account of physical methods and results required to measure cell adhesion and interpret experimental data. Since on the one hand readability seemed a major quality for a book, and on the other hand, the problems posed referred to a wide range of domains of physics, chemistry, and biology, completeness had to sacrificed. Indeed, a whole book would not suffice to quote the relevant literature (and many more authors would be required to have read it). Hence, only a limited number of topics were selected for reliability of methods, availability of enough experimental results to illustrate basic conception or potential use in the future. These were discussed in three sections.
Author : E. Yurtsever
Publisher : Springer Science & Business Media
ISBN 13 : 9401103453
Total Pages : 414 pages
Book Rating : 4.4/5 (11 download)
Download or read book Frontiers of Chemical Dynamics written by E. Yurtsever and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume contains the lectures presented at the NATO Advanced Study Institute (ASI) on " Frontiers of Chemical Dynamics ", held in the Club AIda, Kerner, Turkey, from 5th September to 16th September 1994. The Kerner area, famous for its pristine beaches and craggy mountains provided an excellent atmosphere for an intellectually and socially active meeting. The first class facilities of Club AIda allowed the participants to concentrate on the scientific activities without any outside interferences and disturbances. The main objective of the meeting was to bring experts of chemical dynamics to discuss problems from both experimental and theoretical points of view. The organizing committee has helped a great deal to collect an impressive list of lecturers, although there were quite a number of other scientists whom we would have liked to invite. Unfortunately, the number of lecturers is limited and we had to leave out some of them. The selection of the lecturers from a very long list was a difficult process and those who are approached in our very first attempt were all known for giving very good lectures. The purpose of the ASI's are mainly educational even though they may be at a very high level and it is essential to keep in mind the pedagogical aspects of the meeting without sacrificing the scientific quality. This point was underlined several times in our communications with lecturers.
Author : Odilon Chalvet
Publisher : Springer Science & Business Media
ISBN 13 : 9401014566
Total Pages : 470 pages
Book Rating : 4.4/5 (1 download)
Download or read book Localization and Delocalization in Quantum Chemistry written by Odilon Chalvet and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 470 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second volume of the proceedings of the international seminar devoted to locali· zation and delocalization in quantum chemistry is divided into four parts. The first one is mainly concerned with the localizability of electrons in ionized and exited states. The second part shows how is it possible to take advantage of the localizability of electrons to compute molecular wave-functions. The third part of the book is an homogeneous analysis of the electronic collective excitation and of the motion of excitons in organic solids. The last section is devoted to the study of the role of electron localizability in the chemical reactivity of molecules. Concluding remarks are concerned with a careful analysis of the localizability concept itself in relation with a possible interpretation of the wave-mechanics. PART I ELECTRON LOCALIZATION IN IONIZED AND EXCITED STATES APPLICATIONS OF PAIR DENSITY ANALYSIS R. CONSTANCIEL and L. ESNAULT Centre de Mecanique Ondulatoire Appliquee, Paris, France Abstract. The method of pair density analysis is applied to various kinds of calculations. We examine the influence of the quality of the wavefunction and of the nuclear configuration; the problem of hybridization is discussed, as weIl as the relations between separability and excitation.
Author :
Publisher : Academic Press
ISBN 13 : 0080582427
Total Pages : 356 pages
Book Rating : 4.0/5 (85 download)
Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 1985-03-29 with total page 356 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry
Author : Steve Scheiner
Publisher : Oxford University Press
ISBN 13 : 0198025092
Total Pages : 396 pages
Book Rating : 4.1/5 (98 download)
Download or read book Hydrogen Bonding written by Steve Scheiner and published by Oxford University Press. This book was released on 1997-09-04 with total page 396 pages. Available in PDF, EPUB and Kindle. Book excerpt: Because of the importance of the hydrogen bond, there have been scores of insights gained about its fundamental nature by quantum chemical computations over the years. Such methods can probe subtle characteristics of the electronic structure and examine regions of the potential energy surface that are simply not accessible by experimental means. The maturation of the techniques, codes, and computer hardware have permitted calculations of unprecedented reliability and rivaling the accuracy of experimental data. This book strives first toward an appreciation of the power of quantum chemistry to analyze the deepest roots of the hydrogen bond phenomenon. It offers a systematic and understandable account of decades of such calculations, focusing on the most important findings. This book provides readers with the tools to understand the original literature, and to perhaps carry out some calculations of their very own on systems of interest.
Author : D.C. Clary
Publisher : Elsevier
ISBN 13 : 0080538061
Total Pages : 363 pages
Book Rating : 4.0/5 (85 download)
Download or read book Optical, Electric and Magnetic Properties of Molecules written by D.C. Clary and published by Elsevier. This book was released on 1997-06-19 with total page 363 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book celebrates the career and scientific accomplishments of Professor David Buckingham, who is due to retire from his Chair at Cambridge University in 1997. The adopted format comprises reprints of a number of David Buckingham's key scientific papers, each one or two of these preceded by a review of the corresponding area of David's wide-ranging research interest. Each reviewer is recognised as an expert in that field of interest and has some close association with David Buckingham, as a scientific colleague and/or a former research student. The book should serve as a distinctive reference source, both retrospective and prospective, for the field of chemical physics with which the name A.D. Buckingham is associated.The editors opted to reprint a majority of early classic Buckingham papers, balanced by some of David Buckingham's more recent publications. Reprinted papers have been placed into a general scientific context that covers prior influences on, and later impacts by, the work nominated for review.
