By
Charles M. Quinn, National University of Ireland, Maynooth, Co. Kildare, Ireland
Patrick Fowler, Department of Chemistry, Sheffield University, UK
David Redmond, National University of Ireland, Maynooth, Co. Kildare, Ireland
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.
Audience:
Undergraduate and graduate students, lecturers, and professionals in theoretical or physical chemistry, as well as those interested in computational chemistry and its applications with Excel.
