Introduction to computational chemistry
Frank Jensen
Introduction to computational chemistry - 3rd ed. - New Delhi Wiley 2017 - xxii,638p. PB 24x19cm.
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
978111825990
Physical Theoretical
541.0285 / JENI
Introduction to computational chemistry - 3rd ed. - New Delhi Wiley 2017 - xxii,638p. PB 24x19cm.
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
978111825990
Physical Theoretical
541.0285 / JENI
