Publication | Closed Access

Scaled Quantum Mechanical scale factors for vibrational calculations using alternate polarized and augmented basis sets with the B3LYP density functional calculation model

EngineeringPhysicsBasis SetsNatural SciencesVibrational CalculationsApplied PhysicsPhysical ChemistryComputational ChemistryQuantum ChemistryElectronic StructureSpectra-structure CorrelationAb-initio Method