Download e-book for kindle: Principles and Applications of Quantum Chemistry by V. P. Gupta

By V. P. Gupta

Principles and purposes of Quantum Chemistry deals transparent and straightforward insurance in accordance with the author’s vast educating at complicated universities world wide. the place wanted, derivations are distinctive in an easy-to-follow demeanour so you will comprehend the actual and mathematical elements of quantum chemistry and molecular digital constitution. development in this beginning, this booklet then explores purposes, utilizing illustrative examples to illustrate using quantum chemical instruments in examine difficulties. each one bankruptcy additionally makes use of cutting edge difficulties and bibliographic references to steer you, and during the booklet chapters hide very important advances within the box together with: Density sensible concept (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic power, and quantum conception of atoms in molecules.

  • Simplified mathematical content material and derivations for reader understanding
  • Useful evaluation of advances within the box akin to Density sensible concept (DFT) and Time-Dependent DFT (TD-DFT)
  • Accessible point for college students and researchers drawn to using quantum chemistry instruments

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Principles and Applications of Quantum Chemistry by V. P. Gupta

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