Ab Initio Methods in Quantum Chemistry, Volume 67, Part 1

Ab Initio Methods in Quantum Chemistry, Volume 67, Part 1

Author: K. P. Lawley

Publisher: John Wiley & Sons

Published: 2009-09-08

Total Pages: 568

ISBN-13: 0470143371

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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.


Book Synopsis Ab Initio Methods in Quantum Chemistry, Volume 67, Part 1 by : K. P. Lawley

Download or read book Ab Initio Methods in Quantum Chemistry, Volume 67, Part 1 written by K. P. Lawley and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.


Ab Initio Methods in Quantum Chemistry, Volume 69, Part 2

Ab Initio Methods in Quantum Chemistry, Volume 69, Part 2

Author: K. P. Lawley

Publisher: John Wiley & Sons

Published: 2009-09-08

Total Pages: 600

ISBN-13: 047014338X

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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.


Book Synopsis Ab Initio Methods in Quantum Chemistry, Volume 69, Part 2 by : K. P. Lawley

Download or read book Ab Initio Methods in Quantum Chemistry, Volume 69, Part 2 written by K. P. Lawley and published by John Wiley & Sons. This book was released on 2009-09-08 with total page 600 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.


Global and Accurate Vibration Hamiltonians from High-Resolution Molecular Spectroscopy

Global and Accurate Vibration Hamiltonians from High-Resolution Molecular Spectroscopy

Author: Michel Herman

Publisher: John Wiley & Sons

Published: 2009-09-09

Total Pages: 448

ISBN-13: 0470142200

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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.


Book Synopsis Global and Accurate Vibration Hamiltonians from High-Resolution Molecular Spectroscopy by : Michel Herman

Download or read book Global and Accurate Vibration Hamiltonians from High-Resolution Molecular Spectroscopy written by Michel Herman and published by John Wiley & Sons. This book was released on 2009-09-09 with total page 448 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.


Reviews in Computational Chemistry, Volume 4

Reviews in Computational Chemistry, Volume 4

Author: Kenny B. Lipkowitz

Publisher: John Wiley & Sons

Published: 2009-09-22

Total Pages: 302

ISBN-13: 0470126086

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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.


Book Synopsis Reviews in Computational Chemistry, Volume 4 by : Kenny B. Lipkowitz

Download or read book Reviews in Computational Chemistry, Volume 4 written by Kenny B. Lipkowitz and published by John Wiley & Sons. This book was released on 2009-09-22 with total page 302 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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 Mechanics for Chemistry

Quantum Mechanics for Chemistry

Author: Seogjoo J. Jang

Publisher: Springer Nature

Published: 2023-06-28

Total Pages: 442

ISBN-13: 3031302184

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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.


Book Synopsis Quantum Mechanics for Chemistry by : Seogjoo J. Jang

Download or read book Quantum Mechanics for Chemistry written by Seogjoo J. Jang and published by Springer Nature. This book was released on 2023-06-28 with total page 442 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.


Advances in Chemical Physics, Volume 67

Advances in Chemical Physics, Volume 67

Author: K. P. Lawley

Publisher: Wiley-Interscience

Published: 1987-05-20

Total Pages: 0

ISBN-13: 9780471909019

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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.


Book Synopsis Advances in Chemical Physics, Volume 67 by : K. P. Lawley

Download or read book Advances in Chemical Physics, Volume 67 written by K. P. Lawley and published by Wiley-Interscience. This book was released on 1987-05-20 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.


Concepts and Methods in Modern Theoretical Chemistry, Two Volume Set

Concepts and Methods in Modern Theoretical Chemistry, Two Volume Set

Author: Swapan Kumar Ghosh

Publisher: CRC Press

Published: 2020-06-16

Total Pages: 856

ISBN-13: 1482260689

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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


Book Synopsis Concepts and Methods in Modern Theoretical Chemistry, Two Volume Set by : Swapan Kumar Ghosh

Download or read book Concepts and Methods in Modern Theoretical Chemistry, Two Volume Set written by Swapan Kumar Ghosh and published by CRC Press. This book was released on 2020-06-16 with total page 856 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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


Theoretical and Computational Aspects of Magnetic Organic Molecules

Theoretical and Computational Aspects of Magnetic Organic Molecules

Author: Sambhu N. Datta

Publisher: World Scientific

Published: 2014

Total Pages: 346

ISBN-13: 1908977221

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Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic molecules with high magnetic moments will be the foundation for design and fabrication of these materials. This book provides a systematic understanding of the structure and properties of organic magnetic molecules. After a summary of the phenomenon of magnetism at the molecular level, it presents a survey of the challenges to theoretical description and evaluation of the magnetic character of open-shell molecules, and an overview of recently developed methods and their successes and shortfalls. Several fields of application, including very strong organic molecular magnets and photo-magnetic switches, are surveyed. Finally, discussions on metal-based materials and simultaneously semiconducting and ferromagnetic extended systems and solids point the way toward future advances. The reader will find a comprehensive discourse on current understanding of magnetic molecules, a thorough survey of computational methods of characterizing known and imagined molecules, simple rules for design of larger magnetic systems, and a guide to opportunities for progress toward organic magnets.


Book Synopsis Theoretical and Computational Aspects of Magnetic Organic Molecules by : Sambhu N. Datta

Download or read book Theoretical and Computational Aspects of Magnetic Organic Molecules written by Sambhu N. Datta and published by World Scientific. This book was released on 2014 with total page 346 pages. Available in PDF, EPUB and Kindle. Book excerpt: Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic molecules with high magnetic moments will be the foundation for design and fabrication of these materials. This book provides a systematic understanding of the structure and properties of organic magnetic molecules. After a summary of the phenomenon of magnetism at the molecular level, it presents a survey of the challenges to theoretical description and evaluation of the magnetic character of open-shell molecules, and an overview of recently developed methods and their successes and shortfalls. Several fields of application, including very strong organic molecular magnets and photo-magnetic switches, are surveyed. Finally, discussions on metal-based materials and simultaneously semiconducting and ferromagnetic extended systems and solids point the way toward future advances. The reader will find a comprehensive discourse on current understanding of magnetic molecules, a thorough survey of computational methods of characterizing known and imagined molecules, simple rules for design of larger magnetic systems, and a guide to opportunities for progress toward organic magnets.


Concepts and Methods in Modern Theoretical Chemistry

Concepts and Methods in Modern Theoretical Chemistry

Author: Swapan Kumar Ghosh

Publisher: CRC Press

Published: 2016-04-19

Total Pages: 489

ISBN-13: 1466505311

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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


Book Synopsis Concepts and Methods in Modern Theoretical Chemistry by : Swapan Kumar Ghosh

Download or read book Concepts and Methods in Modern Theoretical Chemistry written by Swapan Kumar Ghosh and published by CRC Press. This book was released on 2016-04-19 with total page 489 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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


Handbook of High-resolution Spectroscopy

Handbook of High-resolution Spectroscopy

Author: Martin Quack

Publisher: John Wiley & Sons

Published: 2011-09-26

Total Pages: 2236

ISBN-13: 0470066539

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The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications


Book Synopsis Handbook of High-resolution Spectroscopy by : Martin Quack

Download or read book Handbook of High-resolution Spectroscopy written by Martin Quack and published by John Wiley & Sons. This book was released on 2011-09-26 with total page 2236 pages. Available in PDF, EPUB and Kindle. Book excerpt: The field of High-Resolution Spectroscopy has been considerably extended and even redefined in some areas. Combining the knowledge of spectroscopy, laser technology, chemical computation, and experiments, Handbook of High-Resolution Spectroscopy provides a comprehensive survey of the whole field as it presents itself today, with emphasis on the recent developments. This essential handbook for advanced research students, graduate students, and researchers takes a systematic approach through the range of wavelengths and includes the latest advances in experiment and theory that will help and guide future applications. The first comprehensive survey in high-resolution molecular spectroscopy for over 15 years Brings together the knowledge of spectroscopy, laser technology, chemical computation and experiments Brings the reader up-to-date with the many advances that have been made in recent times Takes the reader through the range of wavelengths, covering all possible techniques such as Microwave Spectroscopy, Infrared Spectroscopy, Raman Spectroscopy, VIS, UV and VUV Combines theoretical, computational and experimental aspects Has numerous applications in a wide range of scientific domains Edited by two leaders in this field Provides an overview of rotational, vibration, electronic and photoelectron spectroscopy Volume 1 - Introduction: Fundamentals of Molecular Spectroscopy Volume 2 - High-Resolution Molecular Spectroscopy: Methods and Results Volume 3 - Special Methods & Applications