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Quantum mechanical/molecular mechanical simulations of the Tl(III) ion in water.

Viwat VchirawongkwinThomas S. HoferBernhard R. RandolfBernd M. Rode
Published in: J. Comput. Chem. (2007)
Keyphrases
  • molecular dynamics
  • quantum mechanics
  • numerical simulations
  • information systems
  • three dimensional
  • finite element model
  • mechanical design
  • water level
  • data sets
  • knowledge base
  • simulation models