Introduction to computational chemistry / Frank Jensen
Jensen, Frank
.
Material type: 
Book; Format:
print
Publisher: Chichester : John Wiley & Sons, 2017Edition: 3rd ed.Description: XXII, 638 : il. ; 24 cm.ISBN: 9781118825990.Subject(s): Química computacional
| Item type | Home library | Call number | Status | Loan | Date due | Barcode | Item holds | Course reserves |
|---|---|---|---|---|---|---|---|---|
| Manuales (7 días) | 02. BIBLIOTECA CAMPUS PUERTO REAL | 544/JEN/int (Browse shelf) | Shelving location | Bibliomaps® | BIBLIOG. RECOM. | 3744446960 |
QUÍMICA FÍSICA II GRADO EN QUÍMICA Asignatura actualizada 2017-2018 |
Enhanced descriptions from Syndetics:
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 methodsAdditional information is available at: www.wiley.com/go/jensen/computationalchemistry3
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Bibliografía
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? Tightâbinding 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
Author notes provided by Syndetics
Professor Frank Jensen, Department of Chemistry, Aarhus University, DenmarkFrank 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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