Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), first order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.

S. Sebastian,N. Sundaraganesan,B. Karthikeiyan,V. Srinivasan

Published 2011 in Spectrochimica Acta Part A - Molecular and Biomolecular Spectroscopy

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