Search Results - "Basha, Shaik Jaheer"
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Spectral characterization, solvation effects on topological aspects, and biological attributes of Fmoc-L-glutamic acid 5‑tert‑butyl ester: An effective reagent in anticancer evaluations
Published in Journal of molecular structure (05-12-2022)“…•Spectral profiles were utilized to validate the structure of Fmoc-L-Glu(OtBu).•Exploring the effect of the solvents on NCI among the chemical…”
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Quantum computational, spectroscopic investigations on 6-aminobenzimidazole by DFT/TD-DFT with different solvents and molecular docking studies
Published in Journal of molecular liquids (15-12-2019)“…Quantum chemical density functional theory approach (DFT) and vibrational spectroscopy investigation were done on one of the benzimidazole derivatives called…”
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Quantum computational, spectroscopic and molecular docking studies of 5,5-dimethylhydantoin and its bromine and chlorine derivatives
Published in Chemical Data Collections (01-10-2020)“…•Experimental spectroscopic and DFT studies are carried out.•NBO, NLO and reactive areas of the title compound is identified.•UV–Vis spectrum is compared with…”
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Vibrational energies, bonding nature, electronic properties, spectroscopic investigations and analysis of 3-bromo-4-Chlorobenzophenone
Published in Journal of the Indian Chemical Society (01-11-2022)“…In this present study, we investigated pharmaceutically active of 3-Bromo-4-chlorobenzophenone. Structural, electronic properties (HOMO-LUMO, MEP) are…”
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A Detailed Experimental and DFT Study on Silver-6-Aminobenzimidazole Surface Complex- An Endeavour in prognosis of Anti-Cancerous Materials
Published in Journal of pharmaceutical sciences and research (01-06-2019)“…[...]it is imperative to study the interaction of silver with 6-aminobenzimidazole. [...]it is interesting and important to study the interaction of…”
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