Автор: Yates, Paul Название: Chemical Calculations ISBN: 1138410284 ISBN-13(EAN): 9781138410282 Издательство: Taylor&Francis Цена: 26796.00 р. Наличие на складе: Поставка под заказ. Описание: Explains mathematical techniques in the context of chemistry. This book describes mathematical concepts that are necessary for carrying out practical calculations in chemistry. It is suitable for professionals from a wide array of scientific disciplines involving chemistry.
Автор: Yates, Paul Название: Chemical Calculations ISBN: 1138410284 ISBN-13(EAN): 9781138410282 Издательство: Taylor&Francis Рейтинг: Цена: 26796.00 р. Наличие на складе: Поставка под заказ.
Описание: Explains mathematical techniques in the context of chemistry. This book describes mathematical concepts that are necessary for carrying out practical calculations in chemistry. It is suitable for professionals from a wide array of scientific disciplines involving chemistry.
Автор: Yunana, Eli Usheunepa (Alumni University of Glasgow.) Название: Calculations in Chemical Kinetics for Undergraduates ISBN: 1032228342 ISBN-13(EAN): 9781032228341 Издательство: Taylor&Francis Рейтинг: Цена: 9798.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book aims to restore passion for problem solving and applied quantitative skills in undergraduate chemistry students. Avoiding complicated chemistry jargon and providing hints in every calculation problem, the author helps students overcome their fear of handling mathematically applied problems in physical chemistry.
Автор: Yunana, Eli Usheunepa (alumni University Of Glasgow.) Название: Calculations in chemical kinetics for undergraduates ISBN: 1032228202 ISBN-13(EAN): 9781032228204 Издательство: Taylor&Francis Рейтинг: Цена: 3826.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book aims to restore passion for problem solving and applied quantitative skills in undergraduate chemistry students. Avoiding complicated chemistry jargon and providing hints in every calculation problem, the author helps students overcome their fear of handling mathematically applied problems in physical chemistry.
Автор: Maria Emilova Velinova Название: Ab Initio Calculations: Methods and Applications ISBN: 1773610872 ISBN-13(EAN): 9781773610870 Издательство: Mare Nostrum (Eurospan) Рейтинг: Цена: 23285.00 р. Наличие на складе: Нет в наличии.
Описание: Provides an overview of the most used ab initio quantum methods and their applications in different fields. Ab initio calculations offer results and details that are not obtainable from experimental data and a degree of assurance which is not accessible with the empirical methods. The methods Hartree-Fock, Moller-Plesset Perturbation theory and Coupled Cluster theory are discussed.
Introduction.- Growth mechanism of silicon nanowires.- Stability of silicon nanostructures.- Novel electronic properties of silicon nanostructures.- Summary and remarks.
Автор: Feng Long Gu; Yuriko Aoki; Michael Springborg; Ber Название: Calculations on nonlinear optical properties for large systems ISBN: 3319110675 ISBN-13(EAN): 9783319110677 Издательство: Springer Рейтинг: Цена: 7685.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: For design purposes one needs to relate the structure of proposed materials to their NLO (nonlinear optical) and other properties, which is a situation where theoretical approaches can be very helpful in providing suggestions for candidate systems that subsequently can be synthesized and studied experimentally. This brief describes the quantum-mechanical treatment of the response to one or more external oscillating electric fields for molecular and macroscopic, crystalline systems. To calculate NLO properties of large systems, a linear scaling generalized elongation method for the efficient and accurate calculation is introduced. The reader should be aware that this treatment is particularly feasible for complicated three-dimensional and/or delocalized systems that are intractable when applied to conventional or other linear scaling methods.
Автор: Anne-Marie Sapse Название: Molecular Orbital Calculations for Amino Acids and Peptides ISBN: 1461271096 ISBN-13(EAN): 9781461271093 Издательство: Springer Рейтинг: Цена: 13060.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This volume describes in detail the technique of molecular orbital calculations for biochemistry. The level of presentation will be accessible to biochemists, and biophysicists.
Автор: R.A. Evarestov Название: Theoretical Modeling of Inorganic Nanostructures ISBN: 3662521202 ISBN-13(EAN): 9783662521205 Издательство: Springer Рейтинг: Цена: 19589.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: This book deals with the theoretical and computational simulation of monoperiodic nanostructures for different classes of inorganic substances. Understanding of theoretical aspects presented here enlarges the possibilities for synthesis of monoperiodic nanostructures with predictable morphology and better interpretation of their properties.
Автор: V.P. Mashkovich Название: Error Estimation in Reactor Shielding Calculations ISBN: 0883185369 ISBN-13(EAN): 9780883185360 Издательство: Springer Рейтинг: Цена: 9357.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Автор: Petr Carsky; Miroslav Urban Название: Ab Initio Calculations ISBN: 3540100059 ISBN-13(EAN): 9783540100058 Издательство: Springer Рейтинг: Цена: 12577.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание: Until recently quantum chemical ab initio calculations were re- stricted to atoms and very small molecules. As late as in 1960 Allen l and Karo stated: "Almost all of our ab initio experience derives from diatomic LCAO calculations --- N and we have found in the litera- ture "approximately eighty calculations, three-fourths of which are for diatomic molecules --- There are approximately twenty ab initio calculations for molecules with more than two atoms, but there is a decided dividing line between the existing diatomic and polyatomic wave functions. Confidence in the satisfactory evaluation of the many- -center two-electron integrals is very much less than for the diatom- ic case". Among the noted twenty calculations, SiH was the largest 4 molecule treated. In most cases a minimal basis set was used and the many-center two-electron integrals were calculated in an approximate way. Under these circumstances the ab initio calculations could hard- ly provide useful chemical information. It is therefore no wonder that the dominating role in the field of chemical applications was played by semiempirical and empirical methods. The situation changed essentially in the next decade. The problem of many-center integrals was solved, efficient and sophisticated computer programs were devel- oped, basis sets suitable for a given type of problem were suggested, and, meanwhile, a considerable amount of results has been accumulated which serve as a valuable comparative material. The progress was of course inseparable from the development and availability of computers.
Описание: The chemical shift responds to the variation of the ge- ometry of the chain, and the broad resonance regions can be explained by an inhomogeneous superposition of various chain geometries (and thus chem- ical shifts).
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