Publication | Closed Access

Anharmonic vibrational frequency calculations for solvated molecules in the B3LYP Kohn–Sham basis set limit

Molecular SpectroscopyEngineeringPhysicsNatural SciencesPhysical ChemistryAb-initio MethodComputational ChemistryQuantum ChemistryChemistryMolecular ChemistrySpectra-structure CorrelationB3lyp Kohn–sham BasisSolvated Molecules