electron densities in molecular and molecular orbitals physical chemistry a series of monographs

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Electron Densities In Molecular And Molecular Orbitals

Author : J.R. Van Wazer
ISBN : 9780323161121
Genre : Science
File Size : 80. 87 MB
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Electron Densities in Molecules and Molecular Orbitals aims to explain the subject of molecular orbitals without having to rely much on its mathematical aspect, making it more approachable to those who are new to quantum chemistry. The book covers topics such as orbitals in quantum-chemical calculations; electronic ionizations and transitions; molecular-orbital change distributions; orbital transformations and calculations not involving orbitals; and electron densities and shapes in atoms and molecules. Also included in the book are the cross-sectional plots of electron densities of compounds such as organic compounds like methane, ethane, and ethylene; monomeric lithium fluoride and monomeric methyl lithium; hydrogen cyanide and methinophosphide; and monomeric borane and diborane. The text is recommended for those who have begun taking an interest in quantum chemistry but do not wish to deal yet with the mathematics part of the subject.

Theoretical Foundations Of Electron Spin Resonance

Author : John E. Harriman
ISBN : 9781483191669
Genre : Science
File Size : 23. 25 MB
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Theoretical Foundations of Electron Spin Resonance deals with the theoretical approach to electron paramagnetic resonance. The book discusses electron spin resonance in applications related to polyatomic, probably organic, free radicals in condensed phases. The book also focuses on essentially static phenomena, that is, the description and determination of stationary-state energy levels. The author reviews the Dirac theory of the electron in which a four-component wave function is responsible for the behavior of the electron. The author then connects this theory with the nonrelativistic wave function theory. The book also addresses the relationship between spin Hamiltonian parameters and observable energy levels, as well as the expressions for specific spin Hamiltonian parameters concerning operators and wave functions. The book discusses wave- functions for open-shell systems; as well as how to extract values of spin Hamiltonian from information related to wave functions. The author then examines empirically adjusted parameters that can determine the wave function itself. This book can prove valuable for scientists involved with nuclear physics, molecular physics, and researchers in chemical physics.

Experimental Methods In Catalytic Research

Author : Robert B. Anderson
ISBN : 9781483191409
Genre : Science
File Size : 73. 29 MB
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Experimental Methods in Catalytic Research, Volume I provides a useful account of procedures in various areas of catalytic research. This book describes the method and its fundamental principles, the apparatus used, the data obtained and their interpretation, and the account of the special problems related to catalytic research. Organized into 11 chapters, this volume begins with an overview of the kinetic phenomena such as quantitative studies of reaction rate and factors influencing rate. This text then examines the general properties that are of major importance to catalysis since catalytic rates depend mainly on available active surface. Other chapters consider the detailed mechanism of any catalytic reaction, which include the electronic structure of the chemisorption bond. This book discusses as well several experimental methods developed to study surface reactions under highly idealized conditions. The final chapter deals with the phenomenon associated with the spin of an electron. This book is a valuable resource for chemical engineers.

The Scattering Of Light And Other Electromagnetic Radiation

Author : Milton Kerker
ISBN : 9781483191744
Genre : Science
File Size : 22. 62 MB
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The Scattering of Light and Other Electromagnetic Radiation discusses the theory of electromagnetic scattering and describes some practical applications. The book reviews electromagnetic waves, optics, the interrelationships of main physical quantities and the physical concepts of optics, including Maxwell's equations, polarization, geometrical optics, interference, and diffraction. The text explains the Rayleigh2 theory of scattering by small dielectric spheres, the Bessel functions, and the Legendre functions. The author also explains how the scattering functions for a homogenous sphere change depending on different physical parameters such as the optical size, the complex refractive index, and the angle of observation. The author addresses the assignment of a complex dielectric constant and a corresponding refractive index to plasma when an alternating electrical field is applied that will make the plasma exhibit conductivity and polarization. In a liquid, the author points out that the intensity of scattering is one or two orders of magnitude less than that found in a gaseous system; he explains that the molecules are no longer acting as incoherent nor as randomly located scatterers. This book can be useful for physicists, chemists, biochemists, and engineers whose work includes research utilizing light scattering in the study of certain gases, pure liquids, molecular solutions, macromolecules, polymers, and glass.

Books In Series

Author :
ISBN : 0835221091
Genre : Monographic series
File Size : 82. 35 MB
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Pericyclic Reactions

Author : Alan P. Marchand
ISBN : 9781483218656
Genre : Science
File Size : 89. 76 MB
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Pericyclic Reactions,Volume 35-II covers the theoretical approaches to pericyclic reactions and reviews of pericyclic reactions of reactive intermediates and of particular reaction types. The book discusses some of the experimental approaches used to establish the authenticity of an apparent pericyclic reaction; the transient and observable carbocation rearrangements; and orbital symmetry interactions which are “extra stabilizing or destabilizing. The text then describes the pericyclic reactions of cumulenes; the cheletropic reactions; the applications of frontier molecular orbital theory to pericyclic reactions. A general theoretical model accommodating concerted reaction profiles for forbidden thermal reactions is also encompassed. Chemists and people involved in the study of pericyclic reactions will find the book invaluable.

Monographic Series

Author : Library of Congress
ISBN : WISC:89126009232
Genre : Monographic series
File Size : 38. 57 MB
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Atoms In Molecules

Author : Richard F. W. Bader
ISBN : 0198558651
Genre : Science
File Size : 56. 32 MB
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The molecular structure hypothesis - that a molecule is a collection of atoms linked by a network of bonds - was forged in the crucible of nineteenth century experimental chemistry and has continued to serve as the principal means of ordering and classifying the observations of chemistry. There is a difficulty with the hypothesis, however, in that it is not related directly to the physics which governs the motions of the nuclei and electrons that make up the atoms and the bonds. It isthe purpose of this important book - now available in paperback for the first time - to show that a theory can be developed to underpin the molecular structure hypothesis - that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics can be incorporated into the resulting theory - a theory of atoms in molecules. The book is aimed at those scientists responsible for performing the experiments and collecting the observations on the properties ofmatter at the atomic level, in the belief that the transformation of qualitative concepts into a qualitative theory will serve to deepen our understanding of chemistry.

Density Functional Theory Of Atoms And Molecules

Author : Robert G. Parr
ISBN : 0195357736
Genre : Science
File Size : 74. 60 MB
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This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The book is intended for physicists, chemists, and advanced students in chemistry.

The Publishers Trade List Annual

Author :
ISBN : UOM:39015085507583
Genre : American literature
File Size : 88. 85 MB
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