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IMiCMO: a new integrated ab initio multicenter molecular orbitals method for molecular dynamics calculations in solvent cluster systems.

Shoji MoritaShogo Sakai
Published in: J. Comput. Chem. (2001)
Keyphrases
  • molecular dynamics
  • databases
  • management system
  • data mining
  • data analysis
  • moving objects
  • distributed systems
  • theoretical analysis
  • flow field
  • data generation