Publication | Closed Access
MORATE: a program for direct dynamics calculations of chemical reaction rates by semiempirical molecular orbital theory
111
Citations
48
References
1993
Year
Molecular DynamicsEngineeringPhysicsDirect Dynamics CalculationsNatural SciencesPhysical ChemistryChemical Reaction RatesReactivity (Chemistry)Computational ChemistryMolecular MechanicChemistryQuantum ChemistryMolecular KineticsMathematical ChemistryChemical Kinetics
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