Computational Chemistry, Grant, Guy H.;Richards, W. Graham (Reader in Compu
Автор: Davis William M Название: Physical Chemistry ISBN: 143981077X ISBN-13(EAN): 9781439810774 Издательство: Taylor&Francis Рейтинг: Цена: 29093.00 р. Наличие на складе: Есть у поставщика Поставка под заказ.
Описание:
Designed for a two-semester introductory course sequence in physical chemistry, Physical Chemistry: A Modern Introduction, Second Edition offers a streamlined introduction to the subject. Focusing on core concepts, the text stresses fundamental issues and includes basic examples rather than the myriad of applications often presented in other, more encyclopedic books. Physical chemistry need not appear as a large assortment of different, disconnected, and sometimes intimidating topics. Instead, students should see that physical chemistry provides a coherent framework for chemical knowledge, from the molecular to the macroscopic level.
The book offers:
Novel organization to foster student understanding, giving students the strongest sophistication in the least amount of time and preparing them to tackle more challenging topics
Strong problem-solving emphasis, with numerous end-of-chapter practice exercises, over two dozen in-text worked examples, and a number of clearly identified spreadsheet exercises
A quick review in calculus, via an appendix providing the necessary mathematical background for the study of physical chemistry
Powerful streamlined development of group theory and advanced topics in quantum mechanics, via appendices covering molecular symmetry and special quantum mechanical 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.
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