
Essentials of Computational Chemistry
Theories and Models
Christopher J. Cramer(Author)
Wiley (Publisher)
1st Edition
Published on 18. March 2002
Book
Paperback/Softback
562 pages
978-0-471-48552-0 (ISBN)
Article exhausted; check for reprint
Description
Ohne Computational Chemistry kommen heutzutage weder Physikochemiker noch Synthetiker oder Analytiker aus. Entsprechend wichtig ist es, diesem Gebiet bereits während des Studiums gebührenden Raum zu widmen. Dieses Lehrbuch hilft vor allem bei der Vermittlung grundlegender Konzepte anhand zahlreicher Beispiele aus der organischen, anorganischen und Biochemie, während die theoretischen und mathematischen Hintergründe weniger ausführlich behandelt werden.
Reviews / Votes
"...This book does the job better than any other 'chemistry for the future' book I have read..." (Chemistry Industry, 1 July 2002) "...this is a first rate book...I am happy to recommend it... (Chemistry in Britain, July 2002) "...an excellent example of how mainstream computational chemistry models can be introduced to the novice..." (Perkin Transactions) "...an excellent introduction to the field...this is a fine and practical book..." (Theoretical Chemistry Accounts, December 2002) "...I think this book has a lot to recommend to undergraduate students ... Professor Cramer has done a superb job and deserves congratulating." (The Alchemist, 13 May 2003) "...accessible and easy to read...well-written and the presentation is good..." (Euro Jnl of Chemical Phys and Physical Chem. Vol.110, No.4, 2003)More details
Edition
1., Aufl.
Language
English
Place of publication
Chichester
United Kingdom
Publishing group
John Wiley and Sons Ltd
Target group
College/higher education
Professional and scholarly
Illustrations
Ill.
Dimensions
Height: 24.2 cm
Width: 16.8 cm
Weight
930 gr
ISBN-13
978-0-471-48552-0 (9780471485520)
Schweitzer Classification
Other editions
New editions

Book
09/2004
2nd Edition
Wiley
€60.00
Shipment within 10-20 days
Content
What are Theory, Computation and Modeling?; Molecular Mechanics; Simulations of Molecular Ensembles; Foundations of Molecular Orbital Theory; Semiempirical Implementations of Molecular Orbital Theory; Ab Initio Implementations of Hartree-Fock Molecular Orbital Theory; Including Electron Correlation in Molecular Orbital Theory; Density Functional Theory; Charge Distribution and Spectroscopic Properties; Thermodynamic Properties; Implicit Models for Condensed Phases; Explicit Models for Condensed Phases; Hybrid Quantal/Classical Models; Excited Electronic States; Adiabatic Reaction Dynamics; Appendix A Acronym Glossary; Appendix B Symmetry and Group Theory; Appendix C Spin Algebra; Appendix D Orbital Localization