SpecDis is a handy tool to process the results of quantum-chemical ECD/UV, ORD, or VCD/IR calculations. It supports diverse software packages like ORCA, Gaussian03, Gaussian09, Turbomole (escf, ricc2), NWChem, ADF, DALTON, or Grimme´s sTDA software (simplified TDDFT).
☆12Oct 13, 2017Updated 8 years ago
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