From the Back Cover
Essentials of Computational Chemistry, Theories and Models,Second Edition
provides an accessible introduction to this fastdeveloping subject. Extensively revised and updated, the SecondEdition has been carefully developed to encourage studentunderstanding and to establish seamless
connections with the primary literature for the advanced reader.The book opens with a presentation of classical models, beforegradually moving on to increasingly more complex quantum mechanicaland dynamical theories. Coverage and examples are drawn frominorganic, organic and biological chemistry.
- evolving topics like density functional theory, continuumsolvation models, and computational thermochemistry brought firmlyup-to-date
- carefully guides the reader through key equations, providingbackground information and placing each in context.
- numerous examples and applications with selected case studiesdesigned as a basis for classroom discussion.
- supplementary website with exercises problems and updates:www.pollux.chem.umn.edu/8021/
Invaluable to all students taking a first course incomputational chemistry, molecular modelling, computational quantumchemistry or electronic structure theory. This book will also be ofinterest to postgraduates, researchers and professionals needing anup-to-date, accessible introduction to this subject.
Reviews of the First Edition
"This is an excellent text for graduates or advancedundergraduates in any field of chemistry……the textprovides an excellent introduction to the field for students andresearchers in any area of chemistry" Theoretical ChemistryAccounts, 2003
"…..this book has a lot to recommend to undergraduatestudents as a way of getting them involved in computationalchemistry…Professor Cramer has done a superb job and deservescongratulating" The Alchemist, 2003
" ‘Essentials’ is a useful toolnot only for teaching and learning but also as a quick reference,and thus will most probably become one of the standard text booksfor computational chemistry"
Journal of Chemical Information and Computer Science,2003
About the Author
, Professor of Computational Chemistry Department of Chemistry, University of Minnesota,Minneapolis, USA