Molecular Properties
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Molecular Properties V4
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Author : Douglas Henderson
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Molecular Properties V4 written by Douglas Henderson and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
Physical Chemistry: An Advanced Treatise, Volume IV: Molecular Properties provides the aspects of the properties of single molecules and physical methods available for their determination. This book discusses linear polyatomic molecules, quantum-mechanical theory of vibrations, spectra of organic molecules, production and detection of free radicals, and force constants and molecular structure. The Hund's coupling cases for diatomic molecules, methods of measuring dipole moments, NMR spectra, and ESR spectra of organic species are also elaborated. This publication likewise covers the applications of the Mössbauer effect, electric deflection experiments, and effects of intramolecular motions on diffraction patterns. This volume is intended for graduate and physical chemistry students interested in molecular properties.
Principles And Practices Of Molecular Properties
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Author : Patrick Norman
language : en
Publisher: John Wiley & Sons
Release Date : 2018-03-19
Principles And Practices Of Molecular Properties written by Patrick Norman 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 2018-03-19 with Technology & Engineering categories.
A comprehensive yet accessible exploration of quantum chemical methods for the determination of molecular properties of spectroscopic relevance Molecular properties can be probed both through experiment and simulation. This book bridges these two worlds, connecting the experimentalist's macroscopic view of responses of the electromagnetic field to the theoretician’s microscopic description of the molecular responses. Comprehensive in scope, it also offers conceptual illustrations of molecular response theory by means of time-dependent simulations of simple systems. This important resource in physical chemistry offers: A journey in electrodynamics from the molecular microscopic perspective to the conventional macroscopic viewpoint The construction of Hamiltonians that are appropriate for the quantum mechanical description of molecular properties Time- and frequency-domain perspectives of light–matter interactions and molecular responses of both electrons and nuclei An introduction to approximate state response theory that serves as an everyday tool for computational chemists A unified presentation of prominent molecular properties Principles and Practices of Molecular Properties: Theory, Modeling and Simulations is written by noted experts in the field. It is a guide for graduate students, postdoctoral researchers and professionals in academia and industry alike, providing a set of keys to the research literature.
Molecular Properties V2
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Author : Walter Lovenberg
language : en
Publisher: Elsevier
Release Date : 2012-12-02
Molecular Properties V2 written by Walter Lovenberg and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-02 with Science categories.
Molecular Properties, Volume II is a collection of papers that deals with the physical and chemical properties of iron-sulfur proteins, with emphasis on the theory and application of physicochemical techniques related to metalloproteins. One paper describes the chemical properties of simple iron-sulfur proteins focusing on chloroplast, bacterial-type ferredoxins, and the nature of the active site in the ferredoxins. Another paper notes that rubredoxin sequences can offer phylogenetic, evolutionary, or genetic data. The paper shows that rubredoxins from aerobic and anaerobic bacteria have originated from some common ancestor. One paper analyzes the chemical and physical properties of rubredoxin and the way they relate to the structure resulting from an X-ray diffraction. The investigator can use electron paramagnetic resonance (EPR), electron nuclear double resonance (ENDOR) spectroscopy, or nuclear magnetic resonance (NMR) to determine the structural and functional features of simple and conjugated iron-sulfur proteins. He can also use a proton magnetic resonance (PMR) spectroscopy to study the structures and interactions of proteins in solution, such as ribonuclease, lysozyme, and the heme proteins (hemoglobins or myoglobins). Cellular biologists, micro-biologists, bio-chemists, and scientists involved in biological systems research will find this collection very informative.
Molecular Properties
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Author : Hans-Joachim Cantow
language : en
Publisher: Springer
Release Date : 2014-10-05
Molecular Properties written by Hans-Joachim Cantow and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-10-05 with Technology & Engineering categories.
Physical Properties Of Molecular Crystals Liquids And Glasses
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Author : Arnold Aaron Bondi
language : en
Publisher:
Release Date : 1968
Physical Properties Of Molecular Crystals Liquids And Glasses written by Arnold Aaron Bondi and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1968 with Chemistry, Physical and theoretical categories.
Properties of molecules -- Corresponding-states principle -- Molecular crystals including crystalline polymers -- Elastic properties of molecular crystals including polymer crystals -- Transport properties of molecular crystals -- Fusion -- Liquids -- p-v-T properties of the liquid -- Heat capacity of liquids and polymer melts -- Thermal conductivity of non-associated liquids -- Diffusion of liquids -- Viscosity -- Physical properties of molecular glasses -- Catalog of molecular properties -- Computing schemes.
Molecular Properties
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Author : Douglas Henderson
language : en
Publisher:
Release Date : 1970
Molecular Properties written by Douglas Henderson and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1970 with Chemistry, Physical and theoretical categories.
THE VARIETY OF STRUCTURES WHICH INTEREST CHEMISTS; ROTATION OF MOLECULES; THE VIBRATIONS OF MOLECULES; vIBRATIONAL SPECTRA OF MOLECULES; SPECTRA OF RADICALS; THE MOLECULAR FORCE FIELD; INTERACTIONS AMONG ELECTRONIC, ELECTRIC MOMENTS OF MOLECULES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ESR SPECTRA; NUCLEAR QUADRUPOLE RESONANCE SPECTROSCOPY; MOSSBAUER SPECTROSCOPY; MOLECULAR BEAM SPECTROSCOPY; DIFFRACTION OF ELECTRONS BY GASES.
Symmetry Properties Of Molecules
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Author : G. S. Ezra
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Symmetry Properties Of Molecules written by G. S. Ezra 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 aIm of the present article is to give a critical exposition of the theory of the symmetry properties of rigid and nonrigid molecules. Despite the fact that several accounts of the subject, both technical and didactic, are now available, and despite the extensive discussion of nonrigid molecule symmetry that has been going on since the classic papers of Hougen and Longuet-Higgins, there remains a need for a unifying survey of the problem. Previous treatments have tended to emphasize one or the other particular viewpoint at the expense of a broader view. Renewed interest in the details of the symmetry classification of rotation vibration states of highly symmetric (octahedral) molecules has led to a reexam ination of the relation between conventional point group operations and permutations of identical nuclei in rigid molecules, together with a clarification of the fundamental role of the Eckart constraints and associated Eckart frame. As is shown below, analogous insights can also be obtained in the case of nonrigid molecule symmetry, where the Eckart-Sayvetz conditions provide a natural generalization of the Eckart constraints. The importance of particular definitions of the 'molecule-fixed' frame in the theory of molecular symmetry can be better appreciated by examining their dynamical origin. Chapter 1 is therefore devoted to a description of the derivation of the usual Wilson-Howard-Watson form of the molecular Hamiltonian, together with its generalization to nonrigid molecules. Particular attention is given to the intro duction of molecular models and use of the Eckart and Eckart-Sayvetz constraints.
Geometrical Derivatives Of Energy Surfaces And Molecular Properties
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Author : Poul Jørgensen
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Geometrical Derivatives Of Energy Surfaces And Molecular Properties written by Poul Jørgensen 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 development and computational implementation of analytical expres sions for the low-order derivatives of electronic energy surfaces and other molecular properties has undergone rapid growth in recent years. It is now fairly routine for chemists to make use of energy gradient information in locating and identifying stable geometries and transition states. The use of second analytical derivative (Hessian or curvature) expressions is not yet routine, and third and higher energy derivatives as well as property (e.g., dipole moment, polarizability) derivatives are just beginning to be applied to chemical problems. This NATO Advanced Research Workshop focused on analyzing the re lative merits of various strategies for deriving the requisite analyti cal expressions, for computing necessary integral derivatives and wave function parameter derivatives, and for efficiently coding these expres sions on conventional scalar machines and vector-oriented computers. The participant list contained many scientists who have been instrumen tal in bringing this field to fruition as well as eminent scientists who have broad knowledge and experience in quantum chemistry in general.
Organic Molecular Solids
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Author : William Jones
language : en
Publisher: CRC Press
Release Date : 2019-09-17
Organic Molecular Solids written by William Jones and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-09-17 with Science categories.
Interest in organic molecular solids extends to a range of fields including chemistry, physics, electrical engineering, and materials science. In chemistry, it applies to such topics as solid state reactivity, crystal engineering, theoretical approaches to crystal structure determination, and morphology control. In physics, electrical engineering, and materials science, the possibility of producing organic-based materials (such as crystals, polymers, thin films, or liquid crystals) with potential electronic, opto-electronic, and magnetic uses is a major area of current research interest throughout the world. Organic Molecular Solids examines the uses of organic-based materials over a wide range of applications and interests. Each chapter surveys a relevant topic, providing appropriate introductory background information and modern developments.
Advances In Quantum Chemistry
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Author :
language : en
Publisher: Elsevier
Release Date : 2005-12-20
Advances In Quantum Chemistry written by and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-12-20 with Science categories.
Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. This volume continues the tradition with high quality and thorough reviews of various aspects of quantum chemistry. It contains a variety of topics on the use of quantum mechanical methods to calculate molecular properties including response properties. Linear and non-linear response methods have been developed and implemented for most of the approximate wave functions used in quantum chemistry, giving a range of computational methods of varying cost and accuracy. Thus it is presently possible to calculate for example excitation energies, linear and nonlinear optical properties, one- and multi-photon transition rates, and magnetically induced transition moments for a wide range of molecules and target accuracies. These calculations aid in the interpretation of a wide range of spectroscopy including electron spin resonance, nuclear magnetic resonance and magnetic circular dichroism and general laser spectroscopy.