Vibrational (FT-Raman and FTIR) spectroscopic study, molecular structure, thermodynamic properties and non-linear optical properties of benzyl-3-oxopyperazine-1-carboxylate by density functional theory
Vikas Kumar, Jayant Teotia, Anil Kumar Yadav
Topics & Concepts
Density functional theoryRaman spectroscopyMoleculeCarboxylateEnthalpyMolecular vibrationPhysical chemistryChemistryHeat capacityMolecular geometryComputational chemistryMaterials scienceThermodynamicsOrganic chemistryPhysicsOpticsNonlinear Optical Materials ResearchSynthesis and biological activityChemical synthesis and pharmacological studies