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机译:Charge equilibration model with shielded long-range Coulomb for reactive molecular dynamics simulations
Hong Kong Polytech Univ;
Harbin Inst Technol Shenzhen;
FORCE-FIELD; ATOMIC CHARGES; AB-INITIO; NONCOVALENT INTERACTIONS; WATER CLUSTERS; REAXFF; DENSITY; POTENTIALS; SYSTEMS; ELECTRONEGATIVITY;