Computational Quantum Chemistry II - The Group Theory Calculator
Author： Quinn Charles M.;Fowler Patrick;Redmond David
Publisher： Elsevier Science
Publication year： 2010
E-ISBN: 9780080455204
P-ISBN(Paperback): 9780123704566
P-ISBN(Hardback): 9780123704566
Subject： O641.12 quantum theory of chemical bond
Language： ENG
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Description
Modern Computational Quantum Chemistry is indispensable for research in the chemical sciences. Computational Quantum Chemistry II - The Group Theory Calculator describes the group theory that the authors have developed in the past twenty-five years and illustrates how this approach, known as the 'Spherical Shell' method, can be applied to solve a variety of problems that benefit from a group theory analysis.
To complement the theory, the book is supplied with a CD-ROM (Windows ™ application), on which interactive files, based on EXCEL spreadsheet technology controlled by Visual Basic code, can be used to perform straightforwardly group-theory analyses for direct application to the simplification of physical problems in Chemistry, Physics and even Engineering Science.
The Group Theory Calculator Web page is located at http://www.chemistry.nuim.ie/gt_calculator.htm. The primary purpose of this Web page is to identify and resolve any problems encountered while using the MS EXCEL files on the CD-ROM (included with the book). The Web page is maintained by Charles M. Quinn and allows readers to gain updates and news relating to this publication.
* A comprehensive description of the authors' revolutionary group theory and structural chemistry methodology
* A unique reference/ teaching work together with a CD-ROM filled with powerful interactive files that can be applied to solve group theory problems
* Valuable companion for instructors, designers
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