01253nam a22002177a 4500 20230315114040.0 230313b ||||| |||| 00| 0 eng d 978111825990 AL eng 23 541.0285 JENI Frank Jensen 75252 Introduction to computational chemistry 3rd ed. New Delhi Wiley 2017 xxii,638p. PB 24x19cm. General 8200 ₹6111.00 ₹ ₹7834.00 22% 3-03-2023 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 Chemistry Physical Theoretical 75253 ddc BK 227017 227017 0 0 ddc 0 0 GC SACPG SACPG 2023-03-08 Biblios Book Point 6111.00 1 1 541.0285 JENI PG024272 2025-02-12 00:00:00 2025-01-24 7834.00 2023-03-13 BK