D
D. Aruldhas
Researcher at Nesamony Memorial Christian College
Publications - 22
Citations - 182
D. Aruldhas is an academic researcher from Nesamony Memorial Christian College. The author has contributed to research in topics: Natural bond orbital & Molecule. The author has an hindex of 6, co-authored 20 publications receiving 77 citations.
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Theoretical investigation of structure, anticancer activity and molecular docking of thiourea derivatives
TL;DR: In this article, three substituted thiourea derivatives, namely (4-nitrophenyl), (3,5-dimethylphenyl) and (1,3-di-o-to-tolylthiouera (DTTU), were evaluated for their antineoplastic activity and were shown to possess potential anticancer activity.
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Structural activity, fungicidal activity and molecular dynamics simulation of certain triphenyl methyl imidazole derivatives by experimental and computational spectroscopic techniques.
G.P. Sheeja Mol,G.P. Sheeja Mol,D. Aruldhas,I. Hubert Joe,S. Balachandran,A. Ronaldo Anuf,Jesby George,Anuroopa G. Nadh +7 more
TL;DR: The main objective of the study is to analyze the structural behaviour and fungicidal activity of clotrimazole by experimental and theoretical spectroscopic techniques and its computational results are correlated with three triphenyl imidazole derivative compounds.
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Spectroscopic (FT-IR, FT-Raman, NBO) investigation and molecular docking study of a herbicide compound Bifenox
TL;DR: In this article, the FT-IR and FT-Raman spectra of Bifenox, Methyl 5-(2, 4-Dichlorophenoxy)-2-Nitrobenzoate have been recorded in the range 4000-450 cm−1 and 4000-50 cm− 1, respectively.
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Density functional theory, spectroscopic and hydrogen bonding analysis of fenoxycarb–water complexes
TL;DR: In this article, the spectroscopic properties of Fenoxycarb and its water complexes were studied by adopting experimental and computational methods, and the optimized geometrical parameters obtained from computational methods were compared with experimental studies.
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Spectroscopic investigation, fungicidal activity and molecular dynamics simulation on benzimidazol-2-yl carbamate derivatives
G.P. Sheeja Mol,G.P. Sheeja Mol,D. Aruldhas,I. Hubert Joe,S. Balachandran,A. Ronaldo Anuf,Jesby George +6 more
TL;DR: In this paper, the spectral analysis of commercially available benzimidazol-2-yl carbamate fungicide benomyl was performed by experimental and theoretical IR, Raman, UV-Vis and NMR techniques.