J Mol Model
 2023
DOI: 10.1007/s00894-023-05610-8
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Molecular dynamics investigation, Hirshfeld surface analysis, and molecular docking studies by quantum chemical evaluation of new novel NLO 5-hydroxy-3,6,7,8-tetramethoxyflavone

K. Parimala1
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Cited by 5 publications
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References 39 publications
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Insight into the crystal structure analysis, vibrational studies, reactivities (MESP, HOMO-LUMO, NBO), and the anticancer activities of ruthenium diazide [Ru(POP)(PPh3)(N3)2] complex by molecular docking approach

Christopher Jeyakumar,
Timothy,
Godfrey
et al. 2023
Inorganic Chemistry Communications
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Insight into the crystal structure analysis, vibrational studies, reactivities (MESP, HOMO-LUMO, NBO), and the anticancer activities of ruthenium diazide [Ru(POP)(PPh3)(N3)2] complex by molecular docking approach

Christopher Jeyakumar,
Timothy,
Godfrey
et al. 2023
Inorganic Chemistry Communications
1
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0
0
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Spectral characterizations, molecular docking analysis and quantum computational calculations of 4-hydroxy-3-nitrobenzaldehyde

Chitra1,
Sankar2,
Parimala3
2023
Journal of the Indian Chemical Society
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Experimental and computational study on the spectroscopic approach, chemical reactivity, hyperpolarizabilities and in-silico ligand-protein docking of 5-Chloro-2,4,6-trifluoropyrimidine

Valli Chitra,
Sankar,
Parimala
2023
Journal of the Indian Chemical Society
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