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Structural parameters, electronic, linear and nonlinear optical exploration of thiopyrimidine derivatives: A comparison between DFT/TDDFT and experimental study

Organic Charge-transfer CompoundEngineeringNatural SciencesApplied PhysicsSpectra-structure CorrelationThiopyrimidine DerivativesNonlinear Optical ExplorationPhysical ChemistryOrganic ChemistryStructural ParametersComputational ChemistryQuantum ChemistryChemistryOptical SpectroscopyMolecule-based MaterialPhotophysical PropertyBiophysics