From the Back Cover
Introduction to Computational Chemistry, Second Edition provides a comprehensive account of the fundamental principles underlying different methods, ranging from classical to sophisticated quantum models. Although the main focus is on molecular structures and energetics, subjects such as molecular properties, dynamic aspects, relative methods and qualitative models are also covered. No prior knowledge of concepts specific to computational chemistry ids required, although some understanding of introductory quantum mechanics and elementary mathematics is assumed.
Thoroughly updated and revised, with many chapters expanded or restructured, this second edition features updated methodologies and references as well as an overview for each chapter.
coverage from first principles through to latest advances
basic introduction to both the theory and practical aspects of this rapidly evolving and dynamic area
website for additional information
Suitable for students and researchers entering the field of computational chemistry.
About the Author
obtained his Ph.D. from UCLA in 1987 with Professors C. S. Foote and K. N. Houk, and is currently an Associate Professor in the Department of Chemistry, SDU, Odense, Denmark. He has published over 80 papers and art6icles, and has made contributions to the widely used program package GAMESS.