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2014•Spectrochimica Acta Part A Molecular and Biomolecular SpectroscopyRequires access

Vibrational, UV spectra, NBO, first order hyperpolarizability and HOMO–LUMO analysis of carvedilol

N. Swarnalatha, S. Gunasekaran, M. Nagarajan, S. Srinivasan, G. Sankari, G.R. Ramkumaar

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Key concepts: Hyperpolarizability, Natural bond orbital, HOMO/LUMO, Basis set, Density functional theory, Delocalized electron, Chemistry, Molecule

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Vibrational, UV spectra, NBO, first order hyperpolarizability and HOMO–LUMO analysis of carvedilol — Research Paper | ScholarLens