TY  - BOOK
AU  - Jensen,Frank
TI  - Introduction to computational chemistry
SN  - 9781118825990
PY  - 2017///
CY  - Chichester
PB  - John Wiley & Sons
KW  - Química computacional
N1  - Índice; Bibliografía
N2  - 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  
ER  -