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Introduction to computational chemistry /

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Bibliographic Details
Main Author: Jensen, Frank (Author)
Corporate Author: EBSCOhost
Format: eBook
Language:English
Published: Chichester, West Sussex ; Hoboken, NJ : Wiley, [2017]
Edition:Third edition.
Subjects:
Chemistry, Physical and theoretical > Data processing.
Chemistry, Physical and theoretical > Mathematics.
Electronic books.
Online Access:Connect to the full text of this electronic book
Table of Contents:
  • Introduction
  • Force field methods
  • Hartree--Fock Theory
  • Electron correlation methods
  • Basis sets
  • Density functional methods
  • Semi-empirical methods
  • Valence bond methods
  • Relativistic methods
  • Wave function analysis
  • Molecular properties
  • Illustrating the concepts
  • Optimization techniques
  • Statistical mechanics and transition state theory
  • Simulation techniques
  • Qualitative theories
  • Mathematical methods
  • Statistics and QSAR
  • Concluding remarks.