Introduction to computational chemistry

By:

Frank Jensen

Material type: Text

TextLanguage: English Publication details: New Delhi Wiley 2017Edition: 3rd edDescription: xxii,638p. PB 24x19cmISBN:

978111825990

Subject(s):

Physical Theoretical

DDC classification:

23 541.0285 JENI

Summary: 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

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Holdings
Item type	Current library	Collection	Call number	Status	Barcode
Book	St Aloysius PG Library	General Chemistry	541.0285 JENI (Browse shelf(Opens below))	Available	PG024272

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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

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