the theory of intermolecular forces

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The Theory Of Intermolecular Forces

Author : A. J. Stone
ISBN : 9780198558835
Genre : Literary Criticism
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The theory of intermolecular force has advanced greatly in the last ten or fifteen years. The improved experimental and computational methods have made it possible to develop much more meticulous descriptions, and simple empirical models are no longer adequate to account for the detailed and accurate experimental measurements that are now available. Therefore a knowledge of advanced mathematical techniques is essential. The Theory of Intermolecular Forces is the first book to fully describe these techniques. Stone explains recent advances and sets out the mathematical techniques needed to handle the more elaborate models being used increasingly by both theoreticians and experimentalists in spectroscopy, molecular dynamics, and molecular modeling. Techniques described include the use of higher-rank multipole moments to describe electrostatic interactions, Cartesian and spherical tensor methods, and modern ab initio perturbation theories of intermolecular interactions

The Theory Of Intermolecular Forces

Author : Anthony Stone
ISBN : 9780199672394
Genre : Science
File Size : 79. 78 MB
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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.

The Theory Of Intermolecular Forces

Author : Anthony J. Stone
ISBN : UOM:39015037820753
Genre : Science
File Size : 32. 72 MB
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The theory of intermolecular force has advanced greatly in the last ten or fifteen years. The improved experimental and computational methods have made it possible to develop much more meticulous descriptions, and simple empirical models are no longer adequate to account for the detailed and accurate experimental measurements that are now available. Therefore a knowledge of advanced mathematical techniques is essential. The Theory of Intermolecular Forces is the first book to fully describe these techniques. Stone explains recent advances and sets out the mathematical techniques needed to handle the more elaborate models being used increasingly by both theoreticians and experimentalists in spectroscopy, molecular dynamics, and molecular modelling. Techniques described include the use of higher-rank multipole moments to describe electrostatic interactions, Cartesian and spherical tensor methods, and modern ab initio perturbation theories of intermolecular interactions

Theory Of Intermolecular Forces

Author : H. Margenau
ISBN : 0080165028
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Theory of Intermolecular Forces deals with the exposition of the principles and techniques of the theory of intermolecular forces. The text focuses on the basic theory and surveys other aspects, with particular attention to relevant experiments. The initial chapters introduce the reader to the history of intermolecular forces. Succeeding chapters present topics on short, intermediate, and long range atomic interactions; properties of Coulomb interactions; shape-dependent forces between molecules; and physical adsorption. The book will be of good use to experts and students of quantum mechanics ...

Theory Of Intermolecular Forces

Author : Henry Margenau
ISBN : UCAL:B4288780
Genre : Molecules
File Size : 37. 82 MB
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Theory Of Intermolecular Forces

Author : Henry Margenau
ISBN : UOM:39015065708953
Genre : Science
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Intermolecular Forces And Their Evaluation By Perturbation Theory

Author : P. Arrighini
ISBN : 9783642931826
Genre : Science
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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.

Theory Of Intermolecular Forces

Author : Henry Margenau
ISBN : UCAL:B4288780
Genre : Molecules
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Intermolecular Forces

Author : Joseph O. Hirschfelder
ISBN : 9780470143971
Genre : Science
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The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.

Intermolecular Forces And Clusters Ii

Author : D. Wales
ISBN : 3540281916
Genre : Science
File Size : 53. 30 MB
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This book presents - H2O on NaCl - From Single Molecule, to Clusters, to Monolayer, to Thin Film, to Deliquescence; N-Body Decomposition Approach to the Calculation of Interaction Energies of Water Clusters; Intermolecular Interactions Via Pertubation The

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