Computational Chemistry, Grant, Guy H.;Richards, W. Graham (Reader in Compu

Автор: Atkins
Название: Elements of Physical Chemistry
ISBN: 0199608113 ISBN-13(EAN): 9780199608119
Издательство: Oxford Academ
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Цена: 6862 р.
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Описание: Getting to grips with physical chemistry can be a daunting task. With new concepts to understand and a large amount of mathematics to master, it is no wonder that students can sometimes find it overwhelming.
Elements of Physical Chemistry has been carefully developed to help the reader increase their confidence when using physics and mathematics to answer fundamental questions about the structure of molecules, how chemical reactions take place, and why materials behave the way they do.
The content is tightly focussed and well-matched to undergraduate courses, making it easy to find the information needed. Topics are covered in a clear, easy-to-follow style, using everyday examples to help students to visualise things that can otherwise seem very abstract.
This edition sees further development of the learning features. These include Chemist's toolkits, which provide a reminder of mathematical techniques or introductory chemistry needed to follow material in the chapters; Worked examples, providing a step-by-step route through a problem; Brief illustrations which explain how to use equations; and Self-tests, allowing students to check their understanding.
On the accompanying Online Resource Centre, students have access to multiple choice questions and Webcasts; short videos showing, step-by-step, how to solve an exercise. For lecturers, there is a test bank and the figures from the text are available to download.

Автор: Lewars
Название: Computational Chemistry
ISBN: 9048138604 ISBN-13(EAN): 9789048138609
Издательство: Springer
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Цена: 24483 р.
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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: Davis William M
Название: Physical Chemistry
ISBN: 143981077X ISBN-13(EAN): 9781439810774
Издательство: Taylor&Francis
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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.