Home eBooks Download › electron density distributions in molecules

Electron Density Distributions In Molecules

Download Electron Density Distributions In Molecules PDF/ePub or read online books in Mobi eBooks. Click Download or Read Online button to get Electron Density Distributions In Molecules book now. This website allows unlimited access to, at the time of writing, more than 1.5 million titles, including hundreds of thousands of titles in various foreign languages. If the content not found or just blank you must refresh this page

Electron Density Distributions In Molecules

DOWNLOAD
Author : F. L. Hirshfeld
language : en
Publisher: CRC Press
Release Date : 1991

Electron Density Distributions In Molecules written by F. L. Hirshfeld and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991 with Science categories.

Electron Densities In Molecular And Molecular Orbitals

DOWNLOAD
Author : J.R. Van Wazer
language : en
Publisher: Elsevier
Release Date : 2012-12-02

Electron Densities In Molecular And Molecular Orbitals written by J.R. Van Wazer 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.

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.

Atomic Structure Theory

DOWNLOAD
Author : Walter R. Johnson
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-03-08

Atomic Structure Theory written by Walter R. Johnson 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 2007-03-08 with Science categories.

Atomic Structure Theory is a textbook for students with a background in quantum mechanics. The text is designed to give hands-on experience with atomic structure calculations. Material covered includes angular momentum methods, the central field Schrödinger and Dirac equations, Hartree-Fock and Dirac-Hartree-Fock equations, multiplet structure, hyperfine structure, the isotope shift, dipole and multipole transitions, basic many-body perturbation theory, configuration interaction, and correlation corrections to matrix elements. Numerical methods for solving the Schrödinger and Dirac eigenvalue problems and the (Dirac)-Hartree-Fock equations are given as well. B-spline basis sets are used to carry out sums arising in higher-order many-body calculations. Illustrative problems are provided, together with solutions. FORTRAN programs implementing the numerical methods in the text are included.

The Quantum Theory Of Atoms In Molecules

DOWNLOAD
Author : Chérif F. Matta
language : en
Publisher: John Wiley & Sons
Release Date : 2007-04-09

The Quantum Theory Of Atoms In Molecules written by Chérif F. Matta 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 2007-04-09 with Science categories.

This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design. The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists.

Quantum Biochemistry

DOWNLOAD
Author : Chérif F. Matta
language : en
Publisher: John Wiley & Sons
Release Date : 2010-01-14

Quantum Biochemistry written by Chérif F. Matta 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 2010-01-14 with Science categories.

Divided into five major parts, the two volumes of this ready reference cover the tailoring of theoretical methods for biochemical computations, as well as the many kinds of biomolecules, reaction and transition state elucidation, conformational flexibility determination, and drug design. Throughout, the chapters gradually build up from introductory level to comprehensive reviews of the latest research, and include all important compound classes, such as DNA, RNA, enzymes, vitamins, and heterocyclic compounds. The result is in-depth and vital knowledge for both readers already working in the field as well as those entering it. Includes contributions by Prof. Ada Yonath (Nobel Prize in Chemistry 2009) and Prof. Jerome Karle (Nobel Prize in Chemistry 1985).

The Vsepr Model Of Molecular Geometry

DOWNLOAD
Author : Ronald J Gillespie
language : en
Publisher: Courier Corporation
Release Date : 2013-03-21

The Vsepr Model Of Molecular Geometry written by Ronald J Gillespie and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-21 with Science categories.

Valence Shell Electron Pair Repulsion (VSEPR) theory is a simple technique for predicting the geometry of atomic centers in small molecules and molecular ions. This authoritative reference was written by Istvan Hartiggai and the developer of VSEPR theory, Ronald J. Gillespie. In addition to its value as a text for courses in molecular geometry and chemistry, it constitutes a classic reference for professionals. Starting with coverage of the broader aspects of VSEPR, this volume narrows its focus to a succinct survey of the methods of structural determination. Additional topics include the applications of the VSEPR model and its theoretical basis. Helpful data on molecular geometries, bond lengths, and bond angles appear in tables and other graphics.

The Quantum Theory Of Atoms In Molecules

DOWNLOAD
Author : Chérif F. Matta
language : en
Publisher: John Wiley & Sons
Release Date : 2007-06-27

Many Electron Densities And Reduced Density Matrices

DOWNLOAD
Author : Jerzy Cioslowski
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06

Many Electron Densities And Reduced Density Matrices written by Jerzy Cioslowski 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.

Science advances by leaps and bounds rather than linearly in time. I t is not uncommon for a new concept or approach to generate a lot of initial interest, only to enter a quiet period of years or decades and then suddenly reemerge as the focus of new exciting investigations. This is certainly the case of the reduced density matrices (a k a N-matrices or RDMs), whose promise of a great simplification of quantum-chemical approaches faded away when the prospects of formulating the auxil iary yet essential N-representability conditions turned quite bleak. How ever, even during the period that followed this initial disappointment, the 2-matrices and their one-particle counterparts have been ubiquitous in the formalisms of modern electronic structure theory, entering the correlated-level expressions for the first-order response properties, giv ing rise to natural spinorbitals employed in the configuration interaction method and in rigorous analysis of electronic wavefunctions, and al lowing direct calculations of ionization potentials through the extended Koopmans'theorem. The recent research of Nakatsuji, Valdemoro, and Mazziotti her alds a renaissance of the concept of RDlvls that promotes them from the role of interpretive tools and auxiliary quantities to that of central variables of new electron correlation formalisms. Thanks to the economy of information offered by RDMs, these formalisms surpass the conven tional approaches in conciseness and elegance of formulation. As such, they hold the promise of opening an entirely new chapter of quantum chemistry.

Advanced Organic Chemistry

DOWNLOAD
Author : Francis A. Carey
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-06-13

Advanced Organic Chemistry written by Francis A. Carey 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 2007-06-13 with Science categories.

The two-part, fifth edition of Advanced Organic Chemistry has been substantially revised and reorganized for greater clarity. The material has been updated to reflect advances in the field since the previous edition, especially in computational chemistry. Part A covers fundamental structural topics and basic mechanistic types. It can stand-alone; together, with Part B: Reaction and Synthesis, the two volumes provide a comprehensive foundation for the study in organic chemistry. Companion websites provide digital models for study of structure, reaction and selectivity for students and exercise solutions for instructors.

Molecular Physics And Elements Of Quantum Chemistry

DOWNLOAD
Author : Hermann Haken
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-09

Molecular Physics And Elements Of Quantum Chemistry written by Hermann Haken 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 2013-03-09 with Science categories.

This textbook is intended for use by students of physics, physical chemistry, and theoretical chemistry. The reader is presumed to have a basic knowledge of atomic and quantum physics at the level provided, for example, by the first few chapters in our book The Physics of Atoms and Quanta. The student of physics will find here material which should be included in the basic education of every physicist. This book should furthermore allow students to acquire an appreciation of the breadth and variety within the field of molecular physics and its future as a fascinating area of research. For the student of chemistry, the concepts introduced in this book will provide a theoretical framework for his or her field of study. With the help of these concepts, it is at least in principle possible to reduce the enormous body of empirical chemical knowledge to a few fundamental rules: those of quantum mechanics. In addition, modem physical methods whose fundamentals are introduced here are becoming increasingly important in chemistry and now represent indispensable tools for the chemist. As examples, we might mention the structural analysis of complex organic compounds, spectroscopic investigation of very rapid reaction processes or, as a practical application, the remote detection of pollutants in the air.

Electron Density Distributions In Molecules

Recent Posts