Modern Hot-Atom Chemistry and Its Applications, T. Tominaga; E. Tachikawa

Автор: Bader, Richard F.W. (Professor of Chemistry, McMas
Название: Atoms in Molecules: A Quantum Theory
ISBN: 0198558651 ISBN-13(EAN): 9780198558651
Издательство: Oxford Academ
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Цена: 77090.00 T
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Описание: The purpose of this monograph is to show that a theory can be developed to underpin the molecular structure hypothesis - that the atoms in a molecule are real, with properties predicted and defined by the laws of quantum mechanics.

Автор: Marvin H. Mittleman
Название: Introduction to the Theory of Laser-Atom Interactions
ISBN: 1489924388 ISBN-13(EAN): 9781489924384
Издательство: Springer
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Цена: 130610.00 T
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Описание: New sections include up-to-date discussions of multiphoton ionization, and electron-atom and atom-atom scattering in laser fields, reaffirming the work`s position as the standard introduction to the field.

Автор: Chipot C., Pohorille Andrew
Название: Free Energy Calculations / Theory and Applications in Chemistry and Biology
ISBN: 3540384472 ISBN-13(EAN): 9783540384472
Издательство: Springer
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Цена: 214280.00 T
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Описание: This volume offers a coherent account of the concepts that underlie different approaches devised for the determination of free energies. It provides insight into the theoretical and computational foundations of the subject and presents relevant applications from molecular-level modeling and simulations of chemical and biological systems.

Автор: Peter Politzer; Donald G. Truhlar
Название: Chemical Applications of Atomic and Molecular Electrostatic Potentials
ISBN: 1475796366 ISBN-13(EAN): 9781475796360
Издательство: Springer
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Цена: 156720.00 T
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Описание: We hope that this book will achieve two goals: First, we are trying to provide an overall picture, including recent advances, of current chemical research, both fundamental and applied, involving the electrostatic potential.

Автор: V.P. Gupta
Название: Principles And Applications Of Quantum Chemistry
ISBN: 0128034785 ISBN-13(EAN): 9780128034781
Издательство: Elsevier Science
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Цена: 83080.00 T
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Описание: Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules.

Автор: Risto M. Nieminen; Martti J. Puska; Matti Manninen
Название: Many-Atom Interactions in Solids
ISBN: 3642757553 ISBN-13(EAN): 9783642757556
Издательство: Springer
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Цена: 148020.00 T
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Описание: This book contains the proceedings of the international workshop on Many-Atom Interactions in Solids, which was held June 5-9, 1989, in Pajulahti, Finland.

Автор: Richard Barry Bernstein
Название: Atom - Molecule Collision Theory
ISBN: 1461329159 ISBN-13(EAN): 9781461329152
Издательство: Springer
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Цена: 113190.00 T
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Описание: The broad field of molecular collisions is one of considerable current interest, one in which there is a great deal of research activity, both experi- mental and theoretical.