Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Num Pages: 664 pages. BIC Classification: PN. Category: (P) Professional & Vocational. Dimension: 246 x 191 x 31. Weight in Grams: 1124. . 2017. 3rd. Paperback. . . . .

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Bibliographic Details

Title: Introduction to Computational Chemistry
Publisher: John Wiley & Sons Inc
Publication Date: 2017
Language: English
ISBN 10: 1118825993
ISBN 13: 9781118825990
Binding: Soft cover
Edition: 3rd Edition
Condition: New

About this title

Synopsis

Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics:

Polarizable force fields
Tight-binding DFT
More extensive DFT functionals, excited states and time dependent molecular properties
Accelerated Molecular Dynamics methods
Tensor decomposition methods
Cluster analysis
Reduced scaling and reduced prefactor methods

Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3

About the Author

Professor Frank Jensen, Department of Chemistry, Aarhus University, Denmark
Frank Jensen 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, Aarhus University, Denmark. He has published over 120 papers and articles, and has been a member of the editorial boards of Advances in Quantum Chemistry (2005 - 2011) and the International Journal of Quantum Chemistry (2006-2011).

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