Frontiers of Quantum Chemistry, Marek J. W?jcik; Hiroshi Nakatsuji; Bernard Kirtma
Автор: Atkins, Peter (Fellow of Lincoln College, University of Oxford) De Paula, Julio (Professor of Chemistry and Dean of College of Arts & Sciences, Lewis Название: Physical Chemistry for the Life Sciences, 2010 ISBN: 0199564280 ISBN-13(EAN): 9780199564286 Издательство: Oxford Academ Рейтинг: Цена: 23442.00 р. Наличие на складе: Поставка под заказ.
Описание: Provides a rich collection of analytical essays penned by those who have been closely associated with Pradeep worldwide. The broad message that comes from the contributions is the importance of open global trading systems, competitive and contestable markets domestically, coordination and regulation of national and global action on this, effective partnerships and representative global governance.
Автор: Horia Metiu Название: Physical Chemistry: Quantum Mechanics ISBN: 0815340877 ISBN-13(EAN): 9780815340874 Издательство: Taylor&Francis Рейтинг: Цена: 9492.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Physical Chemistry is a new undergraduate textbook by Horia Metiu published as four separate paperback volumes. These four volumes combine a clear and thorough presentation of the theoretical and mathematical aspects of the subject with examples and applications drawn from current industrial and academic research. By using the computer
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.
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: P.J. Grout; Jean Maruani; Gerardo Delgado-Barrio; Название: Frontiers in Quantum Systems in Chemistry and Physics ISBN: 9048179610 ISBN-13(EAN): 9789048179619 Издательство: Springer Рейтинг: Цена: 36197.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: The basic theory of matter on the nanoscale is quantum mechanics and the application of quantum mechanics to the study of the many-body problem in molecules and materials is a rapidly developing field of research. This book defines the leading edge.
Автор: Zaheer Ul-Haq Название: Frontiers in Computational Chemistry vol 1 ISBN: 1608058654 ISBN-13(EAN): 9781608058655 Издательство: Elsevier Science Рейтинг: Цена: 19201.00 р. Наличие на складе: Поставка под заказ.
Описание: Frontiers in Computational Chemistry, originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes computer-aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. In Volume 1, the leading researchers in the field have collected eight different perspectives in the application of computational methods towards drug design to provide an up-to-date rendering of the current field. This volume covers a variety of topics from G protein-coupled receptors, to the use of cheminformatics and bioinformatics, computational tools such as Molecular Mechanics Poisson-Boltzmann Surface Area, protein-protein interactions, the use of computational methods on large biological data sets, various computational methods used to identify pharmaceutically relevant targets, and more.
Автор: Zaheer Ul-Haq Название: Frontiers in Computational Chemistry ISBN: 1608059790 ISBN-13(EAN): 9781608059799 Издательство: Elsevier Science Рейтинг: Цена: 19201.00 р. Наличие на складе: Поставка под заказ.
Описание:
"Frontiers in Computational Chemistry," originally published by Bentham and now distributed by Elsevier, presents the latest research findings and methods in the diverse field of computational chemistry, focusing on molecular modeling techniques used in drug discovery and the drug development process. This includes computer-aided molecular design, drug discovery and development, lead generation, lead optimization, database management, computer and molecular graphics, and the development of new computational methods or efficient algorithms for the simulation of chemical phenomena including analyses of biological activity. In Volume 2, the authors continue the compendium with nine additional perspectives in the application of computational methods towards drug design. This volume covers an array of subjects from modern hardware advances that accelerate new antibacterial peptide identification, electronic structure methods that explain how singlet oxygen damages DNA, to QSAR model validation, the application of DFT and DFRT methods on understanding the action of nitrogen mustards, the design of novel prodrugs using molecular mechanics and molecular orbital methods, computational simulations of lipid bilayers, high throughput screening methods, and more. Brings together a wide range of research into a single collection to help researchers keep up with new methodsUniquely focuses on computational chemistry approaches that can accelerate drug designMakes a solid connection between experiment and computation, and the novel application of computational methods in the fields of biology, chemistry, biochemistry, physics, and biophysics
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: 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.
Автор: Peter Atkins, Julio de Paula Название: Atkins` Physical Chemistry ISBN: 019969740X ISBN-13(EAN): 9780199697403 Издательство: Oxford Academ Рейтинг: Цена: 8235.00 р. Наличие на складе: Поставка под заказ.
Описание: Atkins` Physical Chemistry is widely acknowledged by students and lecturers alike around the globe to be the textbook of choice for studying physical chemistry. Now in its tenth edition, the text has been enhanced with additional learning features and maths support, and has been radically restructured into short focussed topics.
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