Ab Initio Methods In Quantum Chemistry Volume 67 Part 1
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Ab Initio Methods In Quantum Chemistry Volume 67 Part 1
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Author : K. P. Lawley
language : en
Publisher: John Wiley & Sons
Release Date : 2009-09-08
Ab Initio Methods In Quantum Chemistry Volume 67 Part 1 written by K. P. Lawley 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 2009-09-08 with Science categories.
The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.
Quantum Mechanical Ab Initio Calculation Of The Properties Of Crystalline Materials
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Author : Cesare Pisani
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Quantum Mechanical Ab Initio Calculation Of The Properties Of Crystalline Materials written by Cesare Pisani 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.
A number of general-purpose, reasonably accurate and well-tested ab-initio codes for crystals are discussed in this book. The aim is to expand competence of their application in material sciences and solid-state physics. The book addresses particularly readers with a general knowledge in quantum chemistry and intends to give a deeper insight into the special algorithms and computational techniques in ab-initio computer codes for crystals. Three different programs which are available to all interested potential users on request are presented.
Quantum Mechanics For Chemistry
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Author : Seogjoo J. Jang
language : en
Publisher: Springer Nature
Release Date : 2023-06-28
Quantum Mechanics For Chemistry written by Seogjoo J. Jang and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-06-28 with Science categories.
This textbook forms the basis for an advanced undergraduate or graduate level quantum chemistry course, and can also serve as a reference for researchers in physical chemistry and chemical physics. In addition to the standard core topics such as principles of quantum mechanics, vibrational and rotational states, hydrogen-like molecules, perturbation theory, variational principles, and molecular orbital theories, this book also covers essential theories of electronic structure calculation, the primary methods for calculating quantum dynamics, and major spectroscopic techniques for quantum measurement. Plus, topics that are overlooked in conventional textbooks such as path integral formulation, open system quantum dynamics methods, and Green’s function approaches are addressed. This book helps readers grasp the essential quantum mechanical principles and results that serve as the foundation of modern chemistry and become knowledgeable in major methods of computational chemistry and spectroscopic experiments being conducted by present-day researchers. Dirac notation is used throughout, and right balance between comprehensiveness, rigor, and readability is achieved, ensuring that the book remains accessible while providing all the relevant details. Complete with exercises, this book is ideal for a course on quantum chemistry or as a self-study resource.
Global And Accurate Vibration Hamiltonians From High Resolution Molecular Spectroscopy
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Author : Michel Herman
language : en
Publisher: John Wiley & Sons
Release Date : 2009-09-09
Global And Accurate Vibration Hamiltonians From High Resolution Molecular Spectroscopy written by Michel Herman 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 2009-09-09 with Science categories.
The latest in a series providing chemical physicists with a forum for critical, authoritative evaluations of advances in every area of the discipline, this stand-alone volume focuses on using high resolution molecular spectroscopy to arrive at global and accurate Vibration Hamiltonians.
Concepts And Methods In Modern Theoretical Chemistry Two Volume Set
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Author : Swapan Kumar Ghosh
language : en
Publisher: CRC Press
Release Date : 2020-06-16
Concepts And Methods In Modern Theoretical Chemistry Two Volume Set written by Swapan Kumar Ghosh and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-06-16 with Science categories.
Concepts and Methods in Modern Theoretical Chemistry, Two-Volume Set focuses on the structure and dynamics of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, the two books offer chapters written by experts in their fields. They enable readers to learn how concepts from ab initio quantum chemistry, density functio
Concepts And Methods In Modern Theoretical Chemistry
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Author : Swapan Kumar Ghosh
language : en
Publisher: CRC Press
Release Date : 2016-04-19
Concepts And Methods In Modern Theoretical Chemistry written by Swapan Kumar Ghosh and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-04-19 with Science categories.
Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity, the first book in a two-volume set, focuses on the structure and reactivity of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, this book offers chapters written by experts in their fields. It enables readers to learn how co
Reviews In Computational Chemistry Volume 23
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Author : Kenny B. Lipkowitz
language : en
Publisher: John Wiley & Sons
Release Date : 2007-02-26
Reviews In Computational Chemistry Volume 23 written by Kenny B. Lipkowitz 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 2007-02-26 with Science categories.
THIS VOLUME, LIKE THOSE PRIOR TO IT, FEATURES CHAPTERS BY EXPERTS IN VARIOUS FIELDS OF COMPUTATIONAL CHEMISTRY. Volume 23 COVERS LINEAR SCALING METHODS FOR QUANTUM CHEMISTRY, VARIATIONAL TRANSITION STATE THEORY, COARSE GRAIN MODELING OF POLYMERS, SUPPORT VECTOR MACHINES, CONICAL INTERSECTIONS, ANALYSIS OF INFORMATION CONTENT USING SHANNON ENTROPY, AND HISTORICAL INSIGHTS INTO HOW COMPUTING EVOLVED IN THE PHARMACEUTICAL INDUSTRY. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry." —JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)." —JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Reviews In Computational Chemistry Volume 4
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Author : Kenny B. Lipkowitz
language : en
Publisher: John Wiley & Sons
Release Date : 2009-09-22
Reviews In Computational Chemistry Volume 4 written by Kenny B. Lipkowitz 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 2009-09-22 with Science categories.
This volume in the series brings together reknowned experts in the field to present the reader with an account of the latest developments in quantum mechanics, molecular dynamics, and the teaching of computational chemistry. There are so many developments in the field of computational chemistry that it is difficult to keep track of them. The series was established to review the high volume of developments in the field. Rather than create a traditional article, each author approaches a topic to enable the reader to understand and solve problems and locate key references quickly. Each article has tutorial value. An updated compendium of software for molecular modeling appears as an appendix as in previous volumes. To the editors' knowledge, this is the most complete listing of sources of software for computational chemistry anywhere.
Quantum Chemistry
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Author : Tamás Veszprémi
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Quantum Chemistry written by Tamás Veszprémi 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.
`Quantum Chemistry [the branch of Computational Chemistry that applies the laws of Quantum Mechanics to chemical systems] is one of the most dynamic fields of contemporary chemistry, providing a solid foundation for all of chemistry, and serving as the basis for practical, computational methodologies with applications in virtually all branches of chemistry ... The increased sophistication, accuracy and scope of the theory of chemistry are due to a large extent to the spectacular development of quantum chemistry, and in this book the authors have made a remarkable effort to provide a modern account of the field.' From the Foreword by Paul Mezey, University of Saskatchewan. Quantum Chemistry: Fundamentals to Applications develops quantum chemistry all the way from the fundamentals, found in Part I, through the applications that make up Part II. The applications include: molecular structure; spectroscopy; thermodynamics; chemical reactions; solvent effects; and excited state chemistry. The importance of this field is underscored by the fact that the 1998 Nobel Prize in Chemistry was awarded for the development of Quantum Chemistry.
Potential Energy Surfaces
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Author : Alexander F. Sax
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Potential Energy Surfaces written by Alexander F. Sax 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.
Potential Energy Surfaces is a collection of lectures given at the 1996 Mariapfarr Workshop in Theoretical Chemistry, organized by Alexander F. Sax. The Mariapfarr Workshops' aim is to discuss in-depth topics in Theoretical Chemistry. The target group of these workshops is graduate students and postdocs.