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Improved semiempirical heats of formation through the use of bond and group equivalents.

Matthew P. RepaskyJayaraman ChandrasekharWilliam L. Jorgensen
Published in: J. Comput. Chem. (2002)
Keyphrases
  • group formation
  • real time
  • real world
  • databases
  • computer vision
  • information systems
  • decision making
  • database systems
  • improved algorithm