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Ab Initio Studies of Hydrogen Bonding

  • Steve Scheiner
Chapter
  • 119 Downloads
Part of the Perspectives in Antisense Science book series (BSPS, volume 139)

Abstract

Rapid technological advances in computing over the last decade have opened up new opportunities for the application of molecular orbital procedures to chemical problems. Coupled to the increase in raw speed and power of the hardware, incorporation of new methodology into the programs has brought dramatic improvements in the level of theory which may be applied to a given system.

Keywords

Potential Energy Surface Proton Donor Equilibrium Geometry Water Dimer Counterpoise Correction 
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

© Springer-Verlag Berlin Heidelberg 1991

Authors and Affiliations

  • Steve Scheiner
    • 1
  1. 1.Department of Chemistry & BiochemistrySouthern Illinois UniversityCarbondaleUSA

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