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: M.A.C. Nascimento; Jean Maruani; Erkki J. Br?ndas; Название: Frontiers in Quantum Methods and Applications in Chemistry and Physics ISBN: 3319143964 ISBN-13(EAN): 9783319143965 Издательство: Springer Рейтинг: Цена: 34937.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This edited, multi-author volume contains 14 selected, peer–reviewed contributions based on the presentations given at the 18th International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP XVIII), held at Casa da Cultura de Paraty, Rio de Janeiro, Brazil, in December 2013. It is divided into several sections written by leaders in the respective fields of quantum methodology applied to atomic molecular and condensed matter systems, each containing the most relevant material based on related topics. Recent advances and state-of-the-art developments in the quantum theory of atomic, molecular and condensed matter systems (including bio and nano structures) are presented.
Автор: V.P. Gupta Название: Principles And Applications Of Quantum Chemistry ISBN: 0128034785 ISBN-13(EAN): 9780128034781 Издательство: Elsevier Science Рейтинг: Цена: 12462.00 р. 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: Alia Tadjer and Rossen Pavlov Название: Quantum systems in physics, chemistry, and biology. ISBN: 3319502549 ISBN-13(EAN): 9783319502540 Издательство: Springer Рейтинг: Цена: 30745.00 р. Наличие на складе: Поставка под заказ.
Описание: This book reviews the most significant developments in quantum methodology applied to a broad variety of problems in chemistry, physics, and biology.
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.
Описание: This book presents invited reviews and original short notes of recent results obtained in studies concerning the fabrication and application of nanostructures, which hold great promise for the next generation of electronic, optoelectronic and energy conversion devices.Covering exciting and relatively new topics such as fast-progressing nanoelectronics and optoelectronics, molecular electronics and spintronics, nanophotonics, nanosensorics and nanoenergetics as well as nanotechnology and quantum processing of information, this book gives readers a more complete 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: 33013.00 р. 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.
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