Author:
Al-Otaibi Jamelah S.,Mary Y.Sheena,Mary Y.Shyma,Soman Sreejit,Acharjee Nivedita,B.Narayana
Funder
Princess Nourah bint Abdulrahman University
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Cited by
9 articles.
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1. Delving into 5-Amino-3-(4-chlorophenyl)-1-isonicotinoyl-2,3-dihydro-1H-pyrazole-4-carbonitrile ligand: Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV- Vis), reactivity (ELF, LOL and Fukui), NCI, molecular docking and in silico ADMET studies by experimental and DFT methods;Journal of Molecular Structure;2024-11
2. An investigation on spectroscopic, wavefunction dependent reactivity, docking and anti-Covid-19 ability of flupentixol dihydrochloride: DFT and MD simulations at different temperatures;Journal of Molecular Liquids;2023-12
3. Topology analysis of six phytochemicals through ELF and LOL basins – A DFT study;Indian Journal of Chemistry;2023-11-17
4. Design, Synthesis and Electroluminescence Performance of Flexible Fluorenyl Block Delayed Fluorescence Dimers;Acta Chimica Sinica;2023
5. Investigation of the adsorption of a DNA based purine derivative on N/B-doped coronene and coronene by means of DFT and NCI interaction analysis;Journal of Molecular Liquids;2022-12