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Spectroscopic, quantum computational and molecular docking studies on 1-phenylcyclopentane carboxylic acid
Raajaraman, BR, Sheela, N.R., Muthu, S.
Published in Computational biology and chemistry (01.10.2019)
Published in Computational biology and chemistry (01.10.2019)
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Density functional studies and spectroscopic analysis (FT-IR, FT-Raman, UV–visible, and NMR)with molecular docking approach on an antifibrotic drug Pirfenidone
Manjusha, P., prasana, Johanan Christian, Muthu, S., Raajaraman, BR
Published in Journal of molecular structure (05.03.2020)
Published in Journal of molecular structure (05.03.2020)
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Computational spectroscopic investigations on structural validation with IR and Raman experimental evidence, projection of ultraviolet-visible excitations, natural bond orbital interpretations, and molecular docking studies under the biological investigation on N-Benzyloxycarbonyl-L-Aspartic acid 1-Benzyl ester
Thirunavukkarasu, M., Balaji, G., Muthu, S., Raajaraman, B R., Ramesh, P.
Published in Chemical Data Collections (01.02.2021)
Published in Chemical Data Collections (01.02.2021)
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Investigations on 2-(4-Cyanophenylamino) acetic acid by FT-IR,FT-Raman, NMR and UV-Vis spectroscopy, DFT (NBO, HOMO-LUMO, MEP and Fukui function) and molecular docking studies
Rahuman, M. Habib, Muthu, S., Raajaraman, B.R., Raja, M., Umamahesvari, H.
Published in Heliyon (01.09.2020)
Published in Heliyon (01.09.2020)
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Spectroscopic, quantum chemical calculations, and molecular docking analysis of 3-Chlorophenyl boronic acid
Jeelani, A., Muthu, S., Raajaraman, B. R., Sevvanthi, S.
Published in Spectroscopy letters (25.11.2020)
Published in Spectroscopy letters (25.11.2020)
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Quantum computational, spectroscopic investigations on 6-aminobenzimidazole by DFT/TD-DFT with different solvents and molecular docking studies
Basha, Shaik Jaheer, Chamundeeswari, S.P. Vijaya, Muthu, S., Raajaraman, BR
Published in Journal of molecular liquids (15.12.2019)
Published in Journal of molecular liquids (15.12.2019)
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An antipsychotic drug: Spectroscopic identification, structural features, DFT computations and molecular docking studies on 4-(methylamino)-3-nitrobenzoic acid
Julie, M. Maria, Prabhu, T., Margreat, S. Sangeetha, Leenaraj, D.R., Periandy, S., Muthu, S., Raajaraman, BR
Published in Journal of molecular structure (15.11.2019)
Published in Journal of molecular structure (15.11.2019)
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