About
Single Crystal XRD
Computational Details:
Hirshfeld surfaces, Fingerprint analysis, 3D interaction energy studies, and DFT Studies
Employment
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Government Engineering College Associate Professor
Education
Education history is unavailable.
Projects & Funding
Projects & funding information is unavailable.
Publications (27)
- 3-(4-Methylphenyl)-5-phenyl-1,2-thiazole Save
- Synthesis, structural analysis, and computational investigations of 4-(((5-(p-chlorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl) methylene)amino)-5-methyl-4H-1,2,4-triazole-3-thione Save
- 3-(4-Chlorophenyl)-3-hydroxy-1-phenylprop-2-ene-1-thione Save
- Synthesis, X-Ray Analysis, Computational Investigations and Docking Studies of N-(Imino(phenyl)methyl)-4-methoxybenzimidothioic Acid Save
- Synthesis, structure elucidation and computational analysis of a novel organic crystal: 2-bromo-3-(p-bromobenzenesulfonyl)-5,5-dimethyl -cyclohexanone Save
- Novel aryl substituted sulfonyl piperazine derivatives: Tandem one-pot multi component synthesis via palladium catalyzed Suzuki-Miyaura cross coupling, structure studies and evaluation of anticancer activity Save
- X-ray structural insights and computational analysis of the compound 5-ethyl-4-[(4-morpholinobenzylidene)amino]-2,4-dihydro-3H-1,2,4-triazole-3-thione Save
- Synthesis and comparative investigations of DFT/B3LYP, B3PW91, CAM-B3LYP and HSEH1PBE methods applied to molecular structure, spectroscopic analysis, electronic properties of a novel hydrazone having triazole and pyrazole moiety Save
- Structure elucidation, DFT and IRI computational investigations of a novel 4-(3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile Save
- Structural characterization, 3D-interaction energy and in-vitro antimicrobial studies of 1-(2-chloroacetyl)-3,5-dimethyl-2,6-bis(3,4,5-trimethoxyphenyl)piperidin-4-one Save