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Charge Density Studies of Drug Molecules

  • Edwin D. Stevens
  • Cheryl L. Klein
Part of the NATO ASI Series book series (NSSB, volume 250)

Abstract

The role of single-crystal x-ray diffraction in structural studies is well recognized. Much of our understanding of the details of molecular structure, structure-activity relationships, and even chemical bonding has been drawn from the many structures which have been determined by x-ray diffraction. Parameterization of molecular mechanics models is also largely dependent on x-ray structural data.

Keywords

Electrostatic Potential Electron Density Distribution Molecular Electrostatic Potential Deformation Density Molecular Mechanic Model 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Plenum Press, New York 1991

Authors and Affiliations

  • Edwin D. Stevens
    • 1
  • Cheryl L. Klein
    • 2
  1. 1.Department of ChemistryUniversity of New OrleansNew OrleansUSA
  2. 2.Department of ChemistryXavier University of LouisianaNew OrleansUSA

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