Theoretical Chemistry Advances and Perspectives V2

Theoretical Chemistry Advances and Perspectives V2 PDF Author: Henry Eyring
Publisher: Elsevier
ISBN: 0323156568
Category : Science
Languages : en
Pages : 311

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Book Description
Theoretical Chemistry: Advances and Perspectives, Volume 2 covers all aspects of theoretical chemistry. This book reviews the techniques that have been proven successful in the study of interatomic potentials in order to describe the interactions between complex molecules. The ground state properties of the interacting electron gas when a magnetic field is present are also elaborated, followed by a discussion on the Gellman-Brueckner-Macke theory of the correlation energy that has applications in atomic and molecular systems. This volume considers the instability of the Hartree-Fock ground state in a magnetic field and very high magnetic fields that are pertinent to the structure of matter in collapsed stellar objects. The electron-hole plasma in certain highly-doped semiconductors and many-electron correlation problem are likewise included. This publication is a good reference for students and researchers conducting work on the mathematical description of chemistry.

Theoretical Chemistry Advances and Perspectives V2

Theoretical Chemistry Advances and Perspectives V2 PDF Author: Henry Eyring
Publisher: Elsevier
ISBN: 0323156568
Category : Science
Languages : en
Pages : 311

Get Book Here

Book Description
Theoretical Chemistry: Advances and Perspectives, Volume 2 covers all aspects of theoretical chemistry. This book reviews the techniques that have been proven successful in the study of interatomic potentials in order to describe the interactions between complex molecules. The ground state properties of the interacting electron gas when a magnetic field is present are also elaborated, followed by a discussion on the Gellman-Brueckner-Macke theory of the correlation energy that has applications in atomic and molecular systems. This volume considers the instability of the Hartree-Fock ground state in a magnetic field and very high magnetic fields that are pertinent to the structure of matter in collapsed stellar objects. The electron-hole plasma in certain highly-doped semiconductors and many-electron correlation problem are likewise included. This publication is a good reference for students and researchers conducting work on the mathematical description of chemistry.

Theoretical Chemistry

Theoretical Chemistry PDF Author: Douglas Henderson
Publisher: Academic Press
ISBN: 9780126819069
Category : Chemistry, Physical and theoretical
Languages : en
Pages : 328

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Book Description


Theoretical Chemistry Advances and Perspectives

Theoretical Chemistry Advances and Perspectives PDF Author: Henry Eyring
Publisher: Elsevier
ISBN: 0323159583
Category : Science
Languages : en
Pages : 236

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Book Description
Theoretical Chemistry: Advances and Perspectives, Volume 1 analyzes all aspects of theoretical chemistry. This volume describes the statistical techniques for studying the nonequilibrium behavior of physical systems, followed by a discussion on the theory of optical activity. The interactions of inert gas molecules at large separations and conformal theory of solutions are also reviewed. This book likewise covers the application of the Hartree-Fock approximation to solids. Other topics include the line of sight interaction model, calculation of long-range interaction coefficients, perturbation expansion, common M-fluid theories, and classical Madelung sums. This publication is intended for researchers and practitioners of disciplines related to theoretical chemistry.

Theoretical Chemistry Advances and Perspectives V3

Theoretical Chemistry Advances and Perspectives V3 PDF Author: Henry Eyring
Publisher: Elsevier
ISBN: 0323159001
Category : Science
Languages : en
Pages : 252

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Book Description
Theoretical Chemistry: Advances and Perspectives, Volume 3 compiles studies that review all aspects of theoretical chemistry. This book begins by discussing the developments which have made the ab initio investigation of molecular ions feasible, followed by a treatment on classical equilibrium thermodynamics. The significant structure theory of liquids, structure of fluid 4He by means of zero and nonzero temperatures, and radial distribution function are also considered. This volume concludes with a description on various types of proton transfer reactions in water, explaining how the great speed of such reactions are intimately associated with the unusual hydrogen-bond structure that characterizes liquid water. This publication is valuable to theoretical chemists and students concerned with the mathematical description of chemistry.

Advances in Quantum Chemistry

Advances in Quantum Chemistry PDF Author:
Publisher: Academic Press
ISBN: 0080582443
Category : Science
Languages : en
Pages : 382

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Book Description
Advances in Quantum Chemistry

Modern Electronic Structure Theory (In 2 Parts) - Part 1

Modern Electronic Structure Theory (In 2 Parts) - Part 1 PDF Author: David R Yarkony
Publisher: World Scientific
ISBN: 9814504440
Category : Science
Languages : en
Pages : 766

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Book Description
Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.

New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes

New Electron Correlation Methods and their Applications, and Use of Atomic Orbitals with Exponential Asymptotes PDF Author:
Publisher: Academic Press
ISBN: 0128235470
Category : Science
Languages : en
Pages : 354

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Book Description
Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. - Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology - Features detailed reviews written by leading international researchers

Theory and Applications of Computational Chemistry

Theory and Applications of Computational Chemistry PDF Author: Clifford Dykstra
Publisher: Elsevier
ISBN: 0080456243
Category : Science
Languages : en
Pages : 1336

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Book Description
Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists.* Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry* Is the perfect introduction to the field

Computational Advances in Organic Chemistry: Molecular Structure and Reactivity

Computational Advances in Organic Chemistry: Molecular Structure and Reactivity PDF Author: Cemil Ă–gretir
Publisher: Springer Science & Business Media
ISBN: 9401132623
Category : Science
Languages : en
Pages : 424

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Book Description
The lecturers as well as the participants came from varied scientific backgrOlUldsfor the NATO -Advanced Study Institute (ASDheld atAltinoluk, Edremit. Turkey during the period of July 31 -August 12 1989. The lecturers were University Professors from the USA, Canada, England, C'-.ermany, France and Spain and they covered a broad spectrwn of specialities from methodology t.o appications. On the other hand students coming from the various NATO countries arrived with an inhomogeneous background to absorb the broad spectnUIl of material covered by the lecturers. However, by the end of the two week period of the ASI, that initial difference in scientific background had been reduced substantially . The lecturers had covered subject matters from the most fundamental to the most applied aspects of theoretical and computational organic chemistry. The lectures were argnmented with tutorial sessions and computational laboratory led by a small group of carefnlly selected tutors. Overall, this NATO -ASI was a ~at success and the Editors are hopeful that the present volume will communicate the scientific success and will radiate the intellectual spirit of the meeting.

Quantum Theory of Chemical Reactions

Quantum Theory of Chemical Reactions PDF Author: Raymond Daudel
Publisher: Springer Science & Business Media
ISBN: 9789027710475
Category : Quantum chemistry
Languages : en
Pages : 206

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Book Description