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Introduction to computational chemistry / Frank Jensen

Jensen, Frank.
Material type: materialTypeLabelBook; Format: print Publisher: Chichester : John Wiley & Sons, 2017Edition: 3rd ed.Description: XXII, 638 : il. ; 24 cm.ISBN: 9781118825990.Subject(s): Química computacional
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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

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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 methods

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

Índice

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? 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  

Author notes provided by Syndetics

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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