QM/EFP
QM/EFP are powerfull and efficient methods to analyze solute-solvent interactions and electronic properties in condensed phases. Implementations in GAMESS, Q-Chem, and PSI4 have been developed.
Formulas…
QM/EFP are powerfull and efficient methods to analyze solute-solvent interactions and electronic properties in condensed phases. Implementations in GAMESS, Q-Chem, and PSI4 have been developed.
Formulas…