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P. Vennila
P. Vennila
Bharathiar University
Computational chemistry
Chemistry
Natural bond orbital
Basis set
Density functional theory
3
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80
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A complete computational and spectroscopic study of 2-bromo-1, 4-dichlorobenzene – A frequently used benzene derivative
2018
Journal of Molecular Structure
P. Vennila
M. Govindaraju
G. Venkatesh
C. Kamal
Y. Sheena Mary
C. Yohannan Panicker
Savaş Kaya
Stevan Armaković
Sanja J. Armaković
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Molecular structure, vibrational spectral assignments (FT-IR and FT-RAMAN), NMR, NBO, HOMO–LUMO and NLO properties of 2-nitroacetophenone based on DFT calculations
2016
Journal of Theoretical and Computational Chemistry
G. Venkatesh
M. Govindaraju
P. Vennila
C. Kamal
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Molecular structure, vibrational spectral assignments (FT-IR and FT-RAMAN), NMR, NBO, HOMO-LUMO and NLO properties of O-methoxybenzaldehyde based on DFT calculations
2016
Journal of Molecular Structure
P. Vennila
M. Govindaraju
G. Venkatesh
C. Kamal
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Citations (48)
1