A Hybrid Density Functional-Classical Molecular Dynamics Simulation of a Water Molecule in Liquid Water

Molecular modeling annual

Volumn 1, Issue 4, 1995, Pages 196-201

  Tuñón, Iñaki ^a   Martins Costa, Marilia Teresa C ^a   Millot, Claude ^a   Ruiz López, Manuel F ^a  

^a Institut Nancéien de Chimie Moléculaire Université Henri Poincaré ^*  (France)

Author keywords

Keywords Computer Simulations, QM MM Potentials, Density Functional Theory, Molecular Dynamics, Liquid Water

Indexed keywords

EID: 0006055947     PISSN: 0949183X     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s008940050016     Document Type: Article

References (0)