Introduction to Computational Chemistry
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Accelerated Molecular Dynamic methods
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Computational Chemistry
Computational Methods
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Custer Analysis
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Density Functional Theory
Electron Correlation
Electronic Structure Methods
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Force fields
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Molecular Properties
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Quantum Mechanics
Simulations
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Tensor Decomposition Methods
Product details
- ISBN 9781118825990
- Weight: 1247g
- Dimensions: 191 x 246mm
- Publication Date: 03 Feb 2017
- Publisher: John Wiley & Sons Inc
- Publication City/Country: US
- Product Form: Paperback
- Language: English
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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
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).
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).
