Results in Chemistry
 2023
DOI: 10.1016/j.rechem.2023.101030
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Local energy decomposition (through methanol), biological activity prediction, solvents interaction (DFT) and molecular docking simulation studies of Schiff base: synthesis, characterization and fluorescence properties

D. Raja Durai
1
,
S. Sowrirajan
2
,
N. Elangovan
3
et al.
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Cited by 7 publications
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References 70 publications
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Theoretical spectroscopic electronic elucidation with polar and non-polar solvents (IEFPCM model), molecular docking and molecular dynamic studies on bendiocarb -antiallergic drug agent

Divya,
Jeba Reeda,
Selvaraj
et al. 2024
Journal of Molecular Liquids
12
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Theoretical spectroscopic electronic elucidation with polar and non-polar solvents (IEFPCM model), molecular docking and molecular dynamic studies on bendiocarb -antiallergic drug agent

Divya,
Jeba Reeda,
Selvaraj
et al. 2024
Journal of Molecular Liquids
12
0
0
0
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Solvation and its influence on the electronic structure and pharmacological activity of 2-fluoro-6-trifluromethyl acetophenone

Mallika,
Thirughanasambantham,
Revathi
et al. 2024
Journal of Molecular Liquids
3
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Synthesis, computational, reactivity analysis, non-covalent interaction and docking studies on (N1E,N2E)-N1,N2-bis(2,4-dichlorobenzylidene)-4-methylbenzene-1,2-diamine

Elangovan,
Ganesan,
Vishveshwaran
et al. 2024
Journal of Molecular Structure
4
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