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Theory of molecular interactions by I. G. Kaplan

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Published by Elsevier in Amsterdam, New York .
Written in English


  • Molecular dynamics.

Book details:

Edition Notes

StatementI.G. Kaplan ; translation editors, S. Fraga and M. Klobukowski.
SeriesStudies in physical and theoretical chemistry ;, 42
LC ClassificationsQD461 .K29713 1986
The Physical Object
Paginationxv, 416 p. :
Number of Pages416
ID Numbers
Open LibraryOL2726155M
ISBN 100444426965
LC Control Number86019932

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The Lifshitz theory can be expressed as an effective Hamaker constant in the van der Waals theory.. Consider, for example, the interaction between an ion of charge, and a nonpolar molecule with polarizability at a medium with dielectric constant, the interaction energy between a charge and an electric dipole is given by = −with the dipole moment of the polarizable molecule.   Perturbation theory. Hydrogen bonding, dipole–dipole interactions, and London (Van der Waals) forces are most naturally accounted for by Rayleigh–Schrödinger perturbation theory (RS-PT). In this theory—applied to two monomers A and B—one uses as unperturbed Hamiltonian the sum of two monomer Hamiltonians, ≡ +. In the present case the unperturbed states are products with = and.   This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics.   Molecular orbital theory of transition metal complexes. The characteristics of transition metal-ligand bonds become clear by an analysis of the molecular orbitals of a 3d metal coordinated by six identical ligands in octahedral complexes [ML 6].As the result of the interaction between the metal d and ligand orbitals, bonding, non-bonding and anti-bonding complex molecular orbitals are formed.

Molecular Orbital (MO) Theory Alternate Approaches to the State Function Localized Orthogonal Orbitals Elliptical Coordinate Expansions Possible Limitations of the Adiabatic Approximations Chapter 4. The Interaction of Small Atomic Systems at Intermediate Distances Hydrogen Atom Interactions Helium Interactions. Molecular self-assembly. Molecular self-assembly is the construction of systems without guidance or management from an outside source (other than to provide a suitable environment). The molecules are directed to assemble through non-covalent interactions. Self-assembly may be subdivided into intermolecular self-assembly (to form a supramolecular assembly), and intramolecular self-assembly . The book is divided into three parts. Part I introduces readers to the fundamental principles of surface plasmon resonance (bio)sensors and covers the electromagnetic theory of surface plasmons, the theory of SPR sensors and molecular interactions at sensor surfaces. Part II presents a review of the state of the art in the development of SPR. Reaction Rate Theory and Rare Events bridges the historical gap between these subjects because the increasingly multidisciplinary nature of scientific research often requires an understanding of both reaction rate theory and the theory of other rare events. The book discusses collision theory, transition state theory, RRKM theory, catalysis.

  "This book presents an authoritative and in-depth treatment of potential energy landscape theory, a powerful analytical approach to describing the atomic and molecular interactions in condensed-matter phenomena. Drawing on the latest developments in the computational modeling of many-body systems, Frank Stillinger applies this approach to a. interaction‐pair potentials A number of atom‐type interactions are defined depending on their molecular environment The main attraction is computational simplicity which permits efficient screening of large compound databases Disadvantage‐derivation is essentially based on information implicitly encodedin limited setsof protein‐ligand. The statistical-thermodynamic model to account for the ion-induced dipole interactions in molten alkali halides through thermodynamic perturbation theory is proposed. The main contribution to the free energy of these melts was described on the basis of charged hard spheres model as the reference system.   Andrew Cooksy is a chemistry professor at San Diego State University, where he teaches courses in physical and general chemistry and carries out research on the spectroscopy, kinetics, and computational chemistry of reactive intermediates in combustion and interstellar processes. He attended the Washington, D.C. public schools before receiving his undergraduate degree in chemistry and Reviews: 9.