Quantum Chemistry with GAMESS - Materials Computation Center
Quantum Chemistry with GAMESS - Materials Computation Center
Quantum Chemistry with GAMESS - Materials Computation Center
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Program CapabilitiesInterpretive toolsLocalized molecular orbitals (LMO)Localized charge distributions (LCD)Nuclear and spectroscopic propertiesSpin densities at nucleus (ESR)NMR spin-spin couplings (in progress)NMR chemical shiftsPolarizabilities, hyperpolarizabilitiesIR and Raman intensitiesTransition probabilities, Franck-Condon overlaps15