Quantum Chemical Calculation Of Unique Molecular Systems Two Volume Set
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Quantum Chemical Calculation Of Unique Molecular Systems Two Volume Set
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Author : Vladimir A. Babkin
language : en
Publisher: CRC Press
Release Date : 2014-02-25
Quantum Chemical Calculation Of Unique Molecular Systems Two Volume Set written by Vladimir A. Babkin and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-02-25 with Science categories.
The major goals of quantum chemistry include increasing the accuracy of the results for small molecular systems and increasing the size of large molecules that can be processed, which is limited by scaling considerations-the computation time increases as a power of the number of atoms. This book offers scope for academics, researchers, and engineer
Quantum Chemical Calculation Of Unique Molecular Systems Two Volume Set
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Author : Taylor & Francis Group
language : en
Publisher: Apple Academic Press
Release Date : 2021-03-31
Quantum Chemical Calculation Of Unique Molecular Systems Two Volume Set written by Taylor & Francis Group and has been published by Apple Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-03-31 with categories.
The major goals of quantum chemistry include increasing the accuracy of the results for small molecular systems and increasing the size of large molecules that can be processed, which is limited by scaling considerations--the computation time increases as a power of the number of atoms. This book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of computational chemistry. Contributions range from new methods to novel applications of existing methods to gain an understanding of the concepts.
Quantum Chemical Calculation Of Unique Molecular Systems Two Volume Set
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Author : Vladimir A. Babkin
language : en
Publisher: Apple Academic Press
Release Date : 2014-02-25
Quantum Chemical Calculation Of Unique Molecular Systems Two Volume Set written by Vladimir A. Babkin and has been published by Apple Academic Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-02-25 with Science categories.
The major goals of quantum chemistry include increasing the accuracy of the results for small molecular systems and increasing the size of large molecules that can be processed, which is limited by scaling considerations—the computation time increases as a power of the number of atoms. This book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of computational chemistry. Contributions range from new methods to novel applications of existing methods to gain an understanding of the concepts.
Advances In The Theory Of Atomic And Molecular Systems
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Author : Piotr Piecuch
language : en
Publisher: Springer Science & Business Media
Release Date : 2009-09-30
Advances In The Theory Of Atomic And Molecular Systems written by Piotr Piecuch 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 2009-09-30 with Science categories.
Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled: Conceptual and Computational Advances in Quantum Chemistry) focuses on electronic structure theory and its foundations. This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering.
Materials Science And Engineering
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Author : Abbas Hamrang
language : en
Publisher: CRC Press
Release Date : 2018-10-03
Materials Science And Engineering written by Abbas Hamrang and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-10-03 with Science categories.
This book has an important role in advancing non-classical materials on the macro and nanoscale. The book provides original, theoretical, and important experimental results. Some research uses non-routine methodologies often unfamiliar to some readers. Furthermore, papers on novel applications of more familiar experimental techniques and analyses o
Ideas Of Quantum Chemistry
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Author : Lucjan Piela
language : en
Publisher: Elsevier
Release Date : 2020-01-11
Ideas Of Quantum Chemistry written by Lucjan Piela and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-01-11 with Science categories.
Ideas of Quantum Chemistry, Volume Two: Interactions highlights the motions and systems in quantum chemistry and the models and tools used to assess them, thus giving detailed insights into the behaviors underlying quantum chemistry. Using an innovative structure to show the logical relationships between different topics, systems and methods, it answers questions and emphasizes knowledge using practical examples. Beginning with a review of the orbital model of electronic motion in periodic systems, the book goes on to explore the correlation of electronic motions, density functional theory (DFT), electric and magnetic fields, intermolecular interactions, chemical reactions and information processing. This third release has been updated and revised to cover the latest developments in the field. It can be used on its own as a guide to key interactions and tools or in combination with Volume Two to give a complete overview of the field. Features a practical range of quantum chemical problems throughout to support further understanding of interactions Uses informal language and unique structure to make complex topics accessible Includes new sections on Electronic Currents, Electron Autocorrelation and Spintronics
Quantum Chemical Calculations Of Molecular Systems As The Basis Of Nanotechnologies In Applied Quantum Chemistry
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Author : Gennadiĭ Efremovich Zaikov
language : en
Publisher:
Release Date : 2012
Quantum Chemical Calculations Of Molecular Systems As The Basis Of Nanotechnologies In Applied Quantum Chemistry written by Gennadiĭ Efremovich Zaikov and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with Molecular structure categories.
This book is one of many volumes which presents current research in the study of quantum-chemical calculations of various molecular systems. The research results presented suggest that the development of nanotechnologies will offer new and more effective advancements for the improvement of penicillins, vitamins and catalysts. The results of quantum-chemical calculations of various molecular systems presented here are the first step toward the development of new nanotechnologies.
Quantum Chemical Calculations Of Molecular Systems As The Basis Of Nanotechnologies In Applied Quantum Chemistry
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Author : Gennadiĭ Efremovich Zaikov
language : en
Publisher:
Release Date : 2012
Quantum Chemical Calculations Of Molecular Systems As The Basis Of Nanotechnologies In Applied Quantum Chemistry written by Gennadiĭ Efremovich Zaikov and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with Molecular structure categories.
This book is one of many volumes which presents current research in the study of quantum-chemical calculations of various molecular systems. The research results presented suggest that the development of nanotechnologies will offer new and more effective advancements for the improvement of penicillins, vitamins and catalysts. The results of quantum-chemical calculations of various molecular systems presented here are the first step toward the development of new nanotechnologies.
Methods Of Molecular Quantum Mechanics
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Author : Valerio Magnasco
language : en
Publisher: John Wiley & Sons
Release Date : 2009-10-29
Methods Of Molecular Quantum Mechanics written by Valerio Magnasco 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 2009-10-29 with Science categories.
Methods of Molecular Quantum Mechanics This advanced text introduces to the advanced undergraduate and graduate student the mathematical foundations of the methods needed to carry out practical applications in electronic molecular quantum mechanics, a necessary preliminary step before using commercial programmes to carry out quantum chemistry calculations. Major features of the book include: Consistent use of the system of atomic units, essential for simplifying all mathematical formulae Introductory use of density matrix techniques for interpreting properties of many-body systems An introduction to valence bond methods with an explanation of the origin of the chemical bond A unified presentation of basic elements of atomic and molecular interactions The book is intended for advanced undergraduate and first-year graduate students in chemical physics, theoretical and quantum chemistry. In addition, it is relevant to students from physics and from engineering sub-disciplines such as chemical engineering and materials sciences.
Fundamentals Of Quantum Chemistry
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Author : Michael P. Mueller
language : en
Publisher: Springer Science & Business Media
Release Date : 2007-05-08
Fundamentals Of Quantum Chemistry written by Michael P. Mueller 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 2007-05-08 with Science categories.
As quantum theory enters its second century, it is fitting to examine just how far it has come as a tool for the chemist. Beginning with Max Planck’s agonizing conclusion in 1900 that linked energy emission in discreet bundles to the resultant black-body radiation curve, a body of knowledge has developed with profound consequences in our ability to understand nature. In the early years, quantum theory was the providence of physicists and certain breeds of physical chemists. While physicists honed and refined the theory and studied atoms and their component systems, physical chemists began the foray into the study of larger, molecular systems. Quantum theory predictions of these systems were first verified through experimental spectroscopic studies in the electromagnetic spectrum (microwave, infrared and ultraviolet/visible), and, later, by nuclear magnetic resonance (NMR) spectroscopy. Over two generations these studies were hampered by two major drawbacks: lack of resolution of spectroscopic data, and the complexity of calculations. This powerful theory that promised understanding of the fundamental nature of molecules faced formidable challenges. The following example may put things in perspective for today’s chemistry faculty, college seniors or graduate students: As little as 40 years ago, force field calculations on a molecule as simple as ketene was a four to five year dissertation project.