V. Karpagam

Molecular structure, spectroscopic (FT-IR, FT-Raman), NBO and HOMO–LUMO analyses, computation of thermodynamic functions for various temperatures of 2, 6-dichloro-3-nitrobenzoic acid

V. Balachandran, G. Santhi, V. Karpagam et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 30 citations

Inorganic Chemistry, Various Temperatures, Engineering +7

Conformational stability, spectroscopic and computational studies, HOMO–LUMO, NBO, ESP analysis, thermodynamic parameters of natural bioactive compound with anticancer potential of 2-(hydroxymethyl)anthraquinone

V. Balachandran, V. Karpagam, B.K. Revathi et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2015 · 21 citations

Medicinal Chemistry, Natural Sciences, Medicine +8

Spectroscopic investigation, natural bond orbital analysis, HOMO–LUMO and thermodynamic functions of 2-tert-butyl-5-methyl anisole using DFT (B3LYP) calculations

V. Balachandran, G. Santhi, V. Karpagam et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 20 citations

Spectroscopic Investigation, Engineering, Natural Sciences +9

Conformational stability, vibrational (FT-IR and FT-Raman) spectra and computational analysis of m-trifluoromethyl benzoic acid

V. Balachandran, V. Karpagam, G. Santhi et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2014 · 19 citations

M-trifluoromethyl Benzoic Acid, Natural Sciences, Spectroscopy +8

Structural features of the 2-amino-5-nitrobenzophenone by means of vibrational spectroscopy HF and DFT, first order hyperpolarizability, NBO, HOMO–LUMO and theromodynamic properties

V. Balachandran, G. Santhi, V. Karpagam et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2013 · 13 citations

Structural Features, First Order Hyperpolarizability, Molecular Spectroscopy +10