Molecular modelling electronic structure methods /

Molecular modelling electronic structure methods /

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Bibliographic Details
Other Authors: Clark, Tim, 1949- (Speaker)
Format: Electronic Video
Language:English
Published: London : Henry Stewart Talks, 2011.
Series:Henry Stewart talks. Biomedical & life sciences collection. Introduction to Cheminformatics.
Subjects:
Cheminformatics.
Electronic structure.
Molecular structure.
Molecules > Models.
Chemistry.
Informatics.
Models, Molecular.
Molecular Structure.
Online Access:https://hstalks.com/bs/2020/
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Table of Contents:
  • Contents: Electronic structure theory
  • The Schrodinger equation
  • Molecular-orbital theory
  • Huckel theory
  • Self-consistent field theory
  • Neglect of diatomic differential overlap (NDDO)
  • Ab initio theory
  • Basis sets
  • Correlation
  • Density
  • Functional theory.

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