Frontiers in Quantum Methods and Applications in Chemistry and Physics, M.A.C. Nascimento; Jean Maruani; Erkki J. Br?ndas;
Автор: V.P. Gupta Название: Principles And Applications Of Quantum Chemistry ISBN: 0128034785 ISBN-13(EAN): 9780128034781 Издательство: Elsevier Science Рейтинг: Цена: 83080.00 T Наличие на складе: Есть у поставщика Поставка под заказ. 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: Bader, Richard F.W. (Professor of Chemistry, McMas Название: Atoms in Molecules: A Quantum Theory ISBN: 0198558651 ISBN-13(EAN): 9780198558651 Издательство: Oxford Academ Рейтинг: Цена: 77090.00 T Наличие на складе: Невозможна поставка. 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: Matti Hotokka; Erkki J. Br?ndas; Jean Maruani; Ger Название: Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology ISBN: 3319015281 ISBN-13(EAN): 9783319015286 Издательство: Springer Рейтинг: Цена: 243800.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Advances in Quantum Methods and Applications in Chemistry, Physics, and Biology includes peer-reviewed contributions based on carefully selected presentations given at the 17th International Workshop on Quantum Systems in Chemistry, Physics, and Biology.
Автор: Borisenko Victor E Et Al Название: Physics, Chemistry And Applications Of Nanostructures: Reviews And Short Notes - Proceedings Of International Conference Nanomeeting - 2011 ISBN: 9814343897 ISBN-13(EAN): 9789814343893 Издательство: World Scientific Publishing Рейтинг: Цена: 214370.00 T Наличие на складе: Есть у поставщика Поставка под заказ. Описание: Presents invited reviews and original short notes of the results obtained in studies concerning the fabrication and application of nanostructures. This book gives readers an understanding of the practical uses of nanotechnology and nanostructures.
Автор: Otero de la Roza, Alberto Название: Non-covalent Interactions in Quantum Chemistry and Physics ISBN: 012809835X ISBN-13(EAN): 9780128098356 Издательство: Elsevier Science Рейтинг: Цена: 220090.00 T Наличие на складе: Поставка под заказ. Описание:
Non-covalent Interactions in Quantum Chemistry and Physics: Theory and Applications provides an entry point for newcomers and a standard reference for researchers publishing in the area of non-covalent interactions. Written by the leading experts in this field, the book enables experienced researchers to keep up with the most recent developments, emerging methods, and relevant applications.
The book gives a comprehensive, in-depth overview of the available quantum-chemistry methods for intermolecular interactions and details the most relevant fields of application for those techniques. Theory and applications are put side-by-side, which allows the reader to gauge the strengths and weaknesses of different computational techniques.
