Introduction to Computational Chemistry

Jensen, Frank

ISBN 10: 1118825993 / ISBN 13: 9781118825990

Published by Wiley, 2017

About this Item

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Bibliographic Details

• Title: Introduction to Computational Chemistry
• Publisher: Wiley
• Publication Date: 2017
• Language: English
• ISBN 10: 1118825993
• ISBN 13: 9781118825990
• Binding: Paperback
• Edition: 3rd Edition
• Condition: Acceptable

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).