P. Vennila

Molecular structure, vibrational spectral assignments (FT-IR and FT-RAMAN), NMR, NBO, HOMO-LUMO and NLO properties of O-methoxybenzaldehyde based on DFT calculations

P. Vennila, M. Govindaraju, G. Venkatesh et al. · Journal of Molecular Structure · 2016 · 95 citations

Vibrational Spectral Assignments, Engineering, Natural Sciences +8

Experimental and theoretical analysis of molecular structure, vibrational spectra and biological properties of the new Co(II), Ni(II) and Cu(II) Schiff base metal complexes

R.V. Sakthivel, P. Sankudevan, P. Vennila et al. · Journal of Molecular Structure · 2021 · 91 citations

Inorganic Chemistry, Chemical Engineering, Theoretical Analysis +5

Molecular dynamic simulations, ALIE surface, Fukui functions geometrical, molecular docking and vibrational spectra studies of tetra chloro p and m-xylene

G. Venkatesh, C. Kamal, P. Vennila et al. · Journal of Molecular Structure · 2018 · 68 citations

Chemical Engineering, Alie Surface, Engineering +9

An investigation on the molecular structure, interaction with metal clusters, anti-Covid-19 ability of 2-deoxy-D-glucose: DFT calculations, MD and docking simulations

G. Venkatesh, Yudibeth Sixto‐López, P. Vennila et al. · Journal of Molecular Structure · 2022 · 65 citations

Biochemistry, Natural Sciences, Cluster Chemistry +5

Synthesis, Molecular structure, Spectral Characterization, Molecular docking and biological activities of (E)-N-(2-methoxy benzylidene) anthracene-2-amine and Co(II), Cu(II) and Zn(II) complexes

P.G. Aravindan, K. Sivaraj, C. Kamal et al. · Journal of Molecular Structure · 2020 · 64 citations

Biochemistry, Natural Sciences, Coordination Complex +6