Название: Organic Chemistry, 2 ed. ISBN 9780199270293 ISBN: 0199270295 ISBN-13(EAN): 9780199270293 Издательство: Oxford Academ Рейтинг: Цена: 11562.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Inspiring and motivating students from the moment it published, Organic Chemistry has established itself in just one edition as the students` choice of organic chemistry text. Its explanatory, mechanistic, evidence-based approach makes it perfect for fostering a true understanding of the subject.
Автор: Lewars Название: Computational Chemistry ISBN: 9048138612 ISBN-13(EAN): 9789048138616 Издательство: Springer Рейтинг: Цена: 10480.00 р. Наличие на складе: Поставка под заказ.
Описание: This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hueckel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.
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
Описание: Presents both classical and quantum-chemical approaches.
Автор: Lewars Название: Computational Chemistry ISBN: 9048138604 ISBN-13(EAN): 9789048138609 Издательство: Springer Рейтинг: Цена: 22354.00 р. Наличие на складе: Поставка под заказ.
Описание: This corrected second edition contains new material which includes solvent effects, the treatment of singlet diradicals, and the fundamentals of computaional chemistry. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hueckel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.
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.
Автор: Lucjan Piela Название: Ideas of Quantum Chemistry, ISBN: 0444594361 ISBN-13(EAN): 9780444594365 Издательство: Elsevier Science Рейтинг: Цена: 14485.00 р. Наличие на складе: Поставка под заказ.
Описание: Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. From the Schroedinger equation to electronic and nuclear motion to intermolecular interactions, this book covers the primary quantum underpinnings of chemical systems. The structure of the book (a TREE-form) emphasizes the logical relationships among various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field. Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestible sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. An appendix on the Internet supplements this book.
Автор: Geerd H.F. Diercksen; B.T. Sutcliffe; A. Veillard Название: Computational Techniques in Quantum Chemistry and Molecular Physics ISBN: 9027705887 ISBN-13(EAN): 9789027705884 Издательство: Springer Рейтинг: Цена: 37874.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Proceedings of the NATO Advanced Study Institute, Ramsan, Germany, September 4-21, 1974
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: 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.
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