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Nonbonded Interatomic Potential Functions and Crystal Structure: Non Hydrogen-Bonded Organic Molecules

  • Dino R. Ferro
  • Jan HermansJr.

Abstract

Nonbonded interatomic potential energies are responsible in large part for the packing of solids and of highly organized macromolecules, such as enzymes, in solution. Considerable effort is being devoted to apply this principle to crystal structures of synthetic polymers1–3 and the conformation of proteins.5,6 With this application in mind, we have analyzed known crystal structures to determine those potential functions which are in best agreement with the packing of molecules in crystals.7,8

Keywords

Dipole Moment Minimum Energy Maleic Anhydride Acta Cryst Experimental Structure 
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 1970

Authors and Affiliations

  • Dino R. Ferro
    • 1
  • Jan HermansJr.
    • 1
  1. 1.Department of BiochemistryUniversity of North CarolinaChapel HillUSA

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