International Journal of Science and Research (IJSR)

International Journal of Science and Research (IJSR)
Call for Papers | Fully Refereed | Open Access | Double Blind Peer Reviewed

ISSN: 2319-7064

Open Citations

Analyses of Quantum Chemical Parameters, Fukui Functions, Magnetic Susceptibility, Hyperpolarizability, Frontier Molecular Orbitals, NBO, Vibrational and NMR Studies of 1(4-Aminophenyl) Ethanone

M. Karunanidhi, V. Balachandran, B. Narayana, M. Karnan

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Last updated: 2026-10-04 06:44:24

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Molecular structure elucidation -Quantum computational approach, Solvent impact analysis, topological investigation and Molecular docking of N -[2-(7-methoxynaphthalen- 1 -yl) ethyl] acetamide

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DFT Investigation, Chemical Reactivity Identification and Molecular Docking of 2( E )˗1˗(3˗Bromothiophene˗2˗yl)˗3˗(Furan˗2˗yl)Prop˗2˗en˗1˗one

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Synthesis, crystallographic, quantum chemical and molecular docking studies of 4-benzoyl-1,2,3,11a-tetrahydro-6H-chromeno[3,2-e]imidazo[1,2-a]pyridin-6-one

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Results in Chemistry · 2022

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RETRACTED: Vibrational spectroscopy, quantum computational and molecular docking studies on 2-chloroquinoline-3-carboxaldehyde

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Molecular spectroscopic investigation, quantum chemical, molecular docking and biological evaluation of 2-(4-Chlorophenyl)-1-[3-(4-chlorophenyl)-5-[4-(propan-2-yl) phenyl-3, 5-dihydro-1H-pyrazole-yl] ethanone

C. Sivakumar, Vadivelu Balachandran, B. Narayana, Vinutha V. Salian, B. Revathi, N. Shanmugapriya, Karuppaiya Vanasundari

Journal of Molecular Structure · 2020

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Vibrational spectroscopic (FT-IR, FT-Raman) and quantum mechanical study of 4-(2-chlorophenyl)-2-ethyl-9-methyl-6H-thieno[3,2-f] [1,2,4]triazolo[4,3-a][1,4] diazepine

Tintu K. Kuruvilla, Johanan Christian Prasana, S. Muthu, Jacob George

Journal of Molecular Structure · 2018

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