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Exploring chemistry with electronic structure methods /

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Bibliographic Details
Main Authors: Foresman, James B. (Author), Frisch, AEleen (Author)
Format: Book
Language:English
Published: Wallingford, CT : Gaussian, Inc., 2015.
Edition:Third edition.
Subjects:
Chemistry > Data processing.
Chemical models.
Online Access:Book's companion web site.
Table of Contents:
  • Using Computations in Chemical Research
  • Getting Started with Calculations
  • Geometry Optimizations
  • Predicting Chemical Properties
  • Modeling Chemistry in Solution
  • Studying Reaction Mechanisms
  • Predicting Spectra
  • Modeling Excited States
  • Advanced Modeling Techniques
  • The Theoretical Background
  • Molecule index.