Description

Book Synopsis
Volume 5 presents tutorial on post-Hartree-Fock methods, electron population analysis, Brownian dynamics, lipid simulations, distance geometry in molecular modeling, and computer-aided drug design. A history traces the field's growth and relationship to funding agencies.

Table of Contents
From the Contents:
The Development of Computational Chemistry in the United States/
Applications of Post-Hartree-Fock Methods: A Tutorial/
Population Analysis and Electron Densities from Quantum Mechanics/
Biological Applications of Electrostatic Calculations and Brownian Dynamics Simulations/
Computer Simulation of Lipids Systems/
Distance Geometry in Molecular Modeling/
A Perspective of Modern Methods in Computer-Aided Drug Design/
Appendix: Compendium of Software for Molecular Modeling

Reviews in Computational Chemistry Volume 5

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    A Hardback by Kenny B. Lipkowitz, Donald B. Boyd

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      Publisher: John Wiley & Sons Inc
      Publication Date: 12/11/1993
      ISBN13: 9780471188667, 978-0471188667
      ISBN10: 0471188662
      Also in:
      Chemistry

      Description

      Book Synopsis
      Volume 5 presents tutorial on post-Hartree-Fock methods, electron population analysis, Brownian dynamics, lipid simulations, distance geometry in molecular modeling, and computer-aided drug design. A history traces the field's growth and relationship to funding agencies.

      Table of Contents
      From the Contents:
      The Development of Computational Chemistry in the United States/
      Applications of Post-Hartree-Fock Methods: A Tutorial/
      Population Analysis and Electron Densities from Quantum Mechanics/
      Biological Applications of Electrostatic Calculations and Brownian Dynamics Simulations/
      Computer Simulation of Lipids Systems/
      Distance Geometry in Molecular Modeling/
      A Perspective of Modern Methods in Computer-Aided Drug Design/
      Appendix: Compendium of Software for Molecular Modeling

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