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: Cook, Michael; Cranwell, Philippa Название: Workbook in Organic Chemistry ISBN: 0198729510 ISBN-13(EAN): 9780198729518 Издательство: Oxford Academ Рейтинг: Цена: 5226.00 р. Наличие на складе: Поставка под заказ.
Описание: The Workbooks in Chemistry series takes a worked example led approach to help undergraduate students develop the problem-solving skills they need to excel in their studies - and beyond.
Автор: Taku Onishi Название: Quantum Computational Chemistry ISBN: 9811059322 ISBN-13(EAN): 9789811059322 Издательство: Springer Рейтинг: Цена: 20962.00 р. Наличие на складе: Поставка под заказ.
Описание:
This book is for both theoretical and experimental chemists to begin quantum molecular orbital calculations for functional materials. First, the theoretical background including the molecular orbital calculation method and modelling are explained. This is followed by an explanation of how to do modelling and calculation and to interpret calculated molecular orbitals, with many research examples in the field of batteries, catalysts, organic molecules and biomolecules. Finally, future trends in computational chemistry are introduced.
Описание: Written by the author of "HPLC: A Practical Guide" (RSC, 1999),this book presents the possibilities for characterising biological applications by combining analytical and computational chemistries.
Автор: Bucknum Michael J., Castro Eduardo A. Название: Computational and Experimental Chemistry: Developments and Applications ISBN: 1926895290 ISBN-13(EAN): 9781926895291 Издательство: Taylor&Francis Рейтинг: Цена: 19140.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
This book covers a range of new research on computational quantum chemistry, along with a special section devoted to exotic carbon allotropes and spiro quantum theory. The section on spiro quantum theory covers the technical presentation of the ideas surrounding the emergence of a synthetic, analytical, and theoretical spiro quantum chemistry edifice, as well as a chemical topology scheme that successfully describes molecules and patterns, including the hydrocarbons and allotropes of carbon. The second part of the book covers a range of new research on computational quantum chemistry.
Описание: Exploring the methodologies and applications ofcomputational tools in drug design, this book is a practical introduction to chemoinformatics, molecular modelling and computational chemistry for researchers.
Описание: Focussing on understanding the interaction of molecules with surfaces and their subsequent organisation, reactivity, or properties from both experimental and theoretical perspectives.
Автор: Datta Sambhu N Название: Theoretical and Computational Aspects of Magnetic Organic Mo ISBN: 1908977213 ISBN-13(EAN): 9781908977212 Издательство: World Scientific Publishing Рейтинг: Цена: 16474.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Organic materials with extraordinary magnetic properties promise a wide range of light, flexible, and inexpensive alternatives to familiar metal-based magnets. Individual organic molecules with high magnetic moments will be the foundation for design and fabrication of these materials.This book provides a systematic understanding of the structure and properties of organic magnetic molecules. After a summary of the phenomenon of magnetism at the molecular level, it presents a survey of the challenges to theoretical description and evaluation of the magnetic character of open-shell molecules, and an overview of recently developed methods and their successes and shortfalls. Several fields of application, including very strong organic molecular magnets and photo-magnetic switches, are surveyed. Finally, discussions on metal-based materials and simultaneously semiconducting and ferromagnetic extended systems and solids point the way toward future advances.The reader will find a comprehensive discourse on current understanding of magnetic molecules, a thorough survey of computational methods of characterizing known and imagined molecules, simple rules for design of larger magnetic systems, and a guide to opportunities for progress toward organic magnets.
Автор: Wesolowski Tomasz A. Название: Recent Progress in Orbital-Free Density Functional Theory ISBN: 9814436720 ISBN-13(EAN): 9789814436724 Издательство: World Scientific Publishing Рейтинг: Цена: 22968.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This is a comprehensive overview of state-of-the-art computational methods based on orbital-free formulation of density functional theory completed by the most recent developments concerning the exact properties, approximations, and interpretations of the relevant quantities in density functional theory.The book is a compilation of contributions stemming from a series of workshops which had been taking place since 2002. It not only chronicles many of the latest developments but also summarises some of the more significant ones. The chapters are mainly reviews of sub-domains but also include original research.
Название: Computational Medicinal Chemistry Set ISBN: 1782620915 ISBN-13(EAN): 9781782620914 Издательство: Royal Society of Chemistry Рейтинг: Цена: 126491.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This set provides the latest information on harnessing quantitative and computational methods, including structure-based design, molecular modelling and simulation, for medicinal chemistry.
Описание: In this monograph, group-theoretical approaches are used to build a system of hadrons and qualitatively describe the properties of chemical compounds. This serves as a complement to numerically and approximately solve the many-electron Schrodinger equation, in order to understand the behavior of chemical elements. Besides general theory, specific results are compared with experimentally measured chemical properties. Content:Symmetries of a quantum systemObservables of a quantum systemLie groups and Lie algebrasThe principles of particle classificationThe symmetry group of chemical elementsClassification and chemical properties of elementsAppendix A. Fock’s energy spectrum of the hydrogen atomAppendix B. Representations of some groups
Название: Computational Tools for Chemical Biology ISBN: 1782627006 ISBN-13(EAN): 9781782627005 Издательство: Royal Society of Chemistry Рейтинг: Цена: 37805.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book offers a fresh perspective on how computational tools can aid the chemical biology research community and drive new research.
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