Fundamental Principles of Molecular Modeling, Anton Amann; Jan C.A. Boeyens; W. Gans
Автор: Anton Amann; Jan C.A. Boeyens; W. Gans Название: Fundamental Principles of Molecular Modeling ISBN: 1489902147 ISBN-13(EAN): 9781489902146 Издательство: Springer Рейтинг: Цена: 17097.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Molecular similarity has always been an important conceptual tool of chemists, yet systematic approaches to molecular similarity problems have only recently been recognized as a major contributor to our understanding of molecular properties.
Автор: Ralph E. Christoffersen Название: Basic Principles and Techniques of Molecular Quantum Mechanics ISBN: 1468463624 ISBN-13(EAN): 9781468463620 Издательство: Springer Рейтинг: Цена: 10258.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: New textbooks at all levels of chemistry appear with great regularity. Our goal, in this series, is to pinpoint areas of chemistry where recent progress has outpaced what is covered in any available textbooks, and then seek out and persuade experts in these fields to produce relatively concise but instructive introductions to their fields.
Автор: A.D. Buckingham; A.C. Legon; S.M. Roberts Название: Principles of Molecular Recognition ISBN: 0751401250 ISBN-13(EAN): 9780751401257 Издательство: Springer Рейтинг: Цена: 20733.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The importance of molecular recognition in chemistry and biology is reflected in a recent upsurge in relevant research, promoted in particular by high-profile initiatives in this area in Europe, the USA and Japan.
Автор: A.D. Buckingham; A.C. Legon; S.M. Roberts Название: Principles of Molecular Recognition ISBN: 9401049599 ISBN-13(EAN): 9789401049597 Издательство: Springer Рейтинг: Цена: 12196.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The importance of molecular recognition in chemistry and biology is reflected in a recent upsurge in relevant research, promoted in particular by high-profile initiatives in this area in Europe, the USA and Japan.
Описание: Written by well-known and international authors, this first book on this hot topic comprehensively conveys expert knowledge from surface science to both chemists and engineers. A one-stop reference for everyone interested in heterogeneous catalysis.
Автор: Jianzhong Wu Название: Variational Methods in Molecular Modeling ISBN: 9811025002 ISBN-13(EAN): 9789811025006 Издательство: Springer Рейтинг: Цена: 18294.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
This book presents tutorial overviews for many applications of variational methods to molecular modeling. Topics discussed include the Gibbs-Bogoliubov-Feynman variational principle, square-gradient models, classical density functional theories, self-consistent-field theories, phase-field methods, Ginzburg-Landau and Helfrich-type phenomenological models, dynamical density functional theory, and variational Monte Carlo methods. Illustrative examples are given to facilitate understanding of the basic concepts and quantitative prediction of the properties and rich behavior of diverse many-body systems ranging from inhomogeneous fluids, electrolytes and ionic liquids in micropores, colloidal dispersions, liquid crystals, polymer blends, lipid membranes, microemulsions, magnetic materials and high-temperature superconductors.
All chapters are written by leading experts in the field and illustrated with tutorial examples for their practical applications to specific subjects. With emphasis placed on physical understanding rather than on rigorous mathematical derivations, the content is accessible to graduate students and researchers in the broad areas of materials science and engineering, chemistry, chemical and biomolecular engineering, applied mathematics, condensed-matter physics, without specific training in theoretical physics or calculus of variations.
Introduction to computer simulations in modern science.- Theoretical approaches for multiscale computer simulations.- Atomic clusters and nanoparticles.- Biomolecular systems.- Nanostructured materials.- Composite materials and hybrid molecular systems.- Crystals, liquids, gases.- Thermo-mechanical properties of materials and related phenomena.- Dynamical molecular processes and related phenomena.- Multiscale phenomena.- Emerging Technologies.- Future outlook.
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