K. Arulaabaranam
Thiruvalluvar University
8 Papers
14 Citations
K. Arulaabaranam is an academic researcher from Thiruvalluvar University. The author has contributed to research in topics: Natural bond orbital & Chemistry. The author has an hindex of 2, co-authored 5 publications.
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Papers
Speculative assessment, molecular composition, PDOS, topology exploration (ELF, LOL, RDG), ligand-protein interactions, on 5-bromo-3-nitropyridine-2-carbonitrile.
TL;DR: In this paper, computational calculations of 5-bromo-3-nitropyridine-2-carbonitrile (5B3N2C) on molecular structure and on energy are implemented using the 6-311++G(d,p) basis set by DFT/B3LYP method.
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Computational assessment on wave function (ELF, LOL) analysis, molecular confirmation and molecular docking explores on 2-(5-Amino-2- Methylanilino)-4-(3-pyridyl) pyrimidine
TL;DR: In this paper, the 2-(5-amino-2-methylanilino)-4-(3-pyridyl)pyrimidine was acquired out theoretically by using various computational tools to analyse its geometry B3LYP/ 6-3 11 ++ G (d, p) and electronic properties (TD-DFT).
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Conformational study, FT-IR, FT-Raman, solvent effect on UV–Vis, charge transfer and protein–ligand interactions of Methyl-2-pyrazinecarboxylate
TL;DR: In this article, the experimental FT-IR, FT-Raman bands are compared with the ascended theoretical wavenumbers of M2PC and assigned expending the potential energy distribution analysis.
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Quantum mechanical computation, spectroscopic exploration and molecular docking analysis of 2-Bromo-4-fluoroacetanilide
TL;DR: In this article, the optimized structural parameters and vibrational frequencies of 2-Bromo-4fluoroacetanilide are obtained using density functional theory (DFT) technique within the B3LYP approximation and 6-311++G (d, p) basis set.
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Theoretical electron excitation study in liquid phase (protic, aprotic, non-polar) and inter and intra molecular reactivity of 2-hydroxy-5-[1-hydroxy-2-(4-phenylbutan-2-ylamino) ethyl] benzamide
S. Chithra,Giri Mani,M. Thirumalai Kumar,V. Vetrivelan,S. Muthu,K. Arulaabaranam,A. Jeelani,Ahmed Irfan,H. Umamahesvari +8 more
TL;DR: In this paper , 2-hydroxy-5-[1-hydrox-2-(4-phenylbutan-2-ylamino) ethylbenzamide was examined by the density functional theory method and its entire properties through experimental and theoretical method with multiplicity of solvents used to study solvation analysis.
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