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Synthesis, solvent polarity(polar and nonpolar), structural and electronic properties with diverse solvents and biological studies of (E)-3-((3-chloro-4-fluorophenyl) imino) indolin-2-one
V.S. Jeba Reeda, V. Bena Jothy, Mohd Asif, et al.
Journal of Molecular Liquids (2023) Vol. 380, pp. 121709-121709
Closed Access | Times Cited: 30
V.S. Jeba Reeda, V. Bena Jothy, Mohd Asif, et al.
Journal of Molecular Liquids (2023) Vol. 380, pp. 121709-121709
Closed Access | Times Cited: 30
Showing 1-25 of 30 citing articles:
Theoretical spectroscopic electronic elucidation with polar and non-polar solvents (IEFPCM model), molecular docking and molecular dynamic studies on bendiocarb -antiallergic drug agent
P. Divya, V.S. Jeba Reeda, S. Selvaraj, et al.
Journal of Molecular Liquids (2024) Vol. 404, pp. 124895-124895
Closed Access | Times Cited: 17
P. Divya, V.S. Jeba Reeda, S. Selvaraj, et al.
Journal of Molecular Liquids (2024) Vol. 404, pp. 124895-124895
Closed Access | Times Cited: 17
Designing, Characterization, DFT, Biological Effectiveness, and Molecular Docking Analysis of Novel Fe(III), Co(II), and Cu(II) Complexes Based on 4-Hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
Mai M. Khalaf, Hany M. Abd El‐Lateef, Mohamed Gouda, et al.
ACS Omega (2024) Vol. 9, Iss. 6, pp. 6466-6481
Open Access | Times Cited: 16
Mai M. Khalaf, Hany M. Abd El‐Lateef, Mohamed Gouda, et al.
ACS Omega (2024) Vol. 9, Iss. 6, pp. 6466-6481
Open Access | Times Cited: 16
Indolin-2-one derivatives as corrosion inhibitors: Structural insights and evaluation through experimental and computational techniques
Abdelkarim Ait Mansour, Hassane Lgaz, Abderrazzak El Moutaouakil Ala Allah, et al.
Journal of Molecular Structure (2024) Vol. 1303, pp. 137592-137592
Closed Access | Times Cited: 10
Abdelkarim Ait Mansour, Hassane Lgaz, Abderrazzak El Moutaouakil Ala Allah, et al.
Journal of Molecular Structure (2024) Vol. 1303, pp. 137592-137592
Closed Access | Times Cited: 10
Synthesis, spectroscopic analysis (FT-IR, FT-Raman, UV, NMR), non-covalent interactions (RDG, IGM) and dynamic simulation on Bis(8‑hydroxy quinoline) salicylate salicylic acid
R. Suja, A. Rathika, V.S. Jeba Reeda, et al.
Journal of Molecular Structure (2024) Vol. 1310, pp. 138231-138231
Closed Access | Times Cited: 9
R. Suja, A. Rathika, V.S. Jeba Reeda, et al.
Journal of Molecular Structure (2024) Vol. 1310, pp. 138231-138231
Closed Access | Times Cited: 9
Quantum chemical computational analysis, electronic transitions, interaction mechanisms analysis by spectroscopic, molecular docking, and molecular dynamic simulation of retinol
V.S. Jeba Reeda, P. Divya, T. Karthick, et al.
Spectroscopy Letters (2024) Vol. 57, Iss. 6, pp. 349-367
Closed Access | Times Cited: 9
V.S. Jeba Reeda, P. Divya, T. Karthick, et al.
Spectroscopy Letters (2024) Vol. 57, Iss. 6, pp. 349-367
Closed Access | Times Cited: 9
Novel Functionalized Spiro [Indoline-3,5′-pyrroline]-2,2′dione Derivatives: Synthesis, Characterization, Drug-Likeness, ADME, and Anticancer Potential
Mohd Asif, Sahir Sultan Alvi, Tazeen Azaz, et al.
International Journal of Molecular Sciences (2023) Vol. 24, Iss. 8, pp. 7336-7336
Open Access | Times Cited: 16
Mohd Asif, Sahir Sultan Alvi, Tazeen Azaz, et al.
International Journal of Molecular Sciences (2023) Vol. 24, Iss. 8, pp. 7336-7336
Open Access | Times Cited: 16
Solvent solute interaction (IEFPCM model), Michael addition-based anticancer drug synthesis, FTIR, NMR, and UV–visible investigations of spirooxindole-pyranoindole (2AIPC) − in vitro and in silico anti-cancer activity
P. Manikandan, Mohit Kumar, P. Swarnamughi, et al.
Journal of Molecular Liquids (2024) Vol. 405, pp. 125064-125064
Closed Access | Times Cited: 6
P. Manikandan, Mohit Kumar, P. Swarnamughi, et al.
Journal of Molecular Liquids (2024) Vol. 405, pp. 125064-125064
Closed Access | Times Cited: 6
Quantum computational, molecular structure, experimental spectra, and molecular docking studies on (S)-3-benzyl-5-(phenylselanyl)-6-(p-tolyl)-3,4-dihydropyran-2-one
S. Durgadevi, C. Venkataraju, Malik Nasibullah, et al.
Chemical Physics Impact (2024) Vol. 8, pp. 100482-100482
Open Access | Times Cited: 5
S. Durgadevi, C. Venkataraju, Malik Nasibullah, et al.
Chemical Physics Impact (2024) Vol. 8, pp. 100482-100482
Open Access | Times Cited: 5
Structural insights and ADMET analysis of CAFI: hydrogen bonding, molecular docking, and drug-likeness in renal function enhancers
P. Divya, V.S. Jeba Reeda, P. Rajkumar, et al.
BMC Chemistry (2025) Vol. 19, Iss. 1
Open Access
P. Divya, V.S. Jeba Reeda, P. Rajkumar, et al.
BMC Chemistry (2025) Vol. 19, Iss. 1
Open Access
DFT study on VOC detection by Helicobacter pylori using encapsulated and mono-doped gold and silver anchored fullerene C60
Mathias O. Ajaba, Anna Imojara, Emmanuel K. Aidoo, et al.
Nano-Structures & Nano-Objects (2025) Vol. 41, pp. 101449-101449
Closed Access
Mathias O. Ajaba, Anna Imojara, Emmanuel K. Aidoo, et al.
Nano-Structures & Nano-Objects (2025) Vol. 41, pp. 101449-101449
Closed Access
Synthesis, crystal structure, Hirshfeld surface analysis, spectral characterisation, non-covalent interactions and anti-microbial investigation on morpholinium adipate: a combined experimental and DFT approach
R. Suja, A. Rathika, V.S. Jeba Reeda, et al.
Molecular Physics (2024)
Closed Access | Times Cited: 4
R. Suja, A. Rathika, V.S. Jeba Reeda, et al.
Molecular Physics (2024)
Closed Access | Times Cited: 4
Comprehensive Analysis of 2,5-Dimethyl-1-(Naphthalen-1-yl)-1H-Pyrrole: X-ray Crystal Structure, Spectral, Computational, Molecular Properties, Docking Studies, Molecular Dynamics, and MMPBSA
V.S. Jeba Reeda, P. Divya, A. Amala Jeya Ranchani, et al.
Journal of Molecular Structure (2024), pp. 140062-140062
Closed Access | Times Cited: 4
V.S. Jeba Reeda, P. Divya, A. Amala Jeya Ranchani, et al.
Journal of Molecular Structure (2024), pp. 140062-140062
Closed Access | Times Cited: 4
Molecular structural, vibrational spectra, dual descriptor, electronic transition and biological evaluations of ethyl 4‑hydroxy-3-methoxycinnamate using density functional theory
Gnana Bharathy, Johanan Christian Prasana, V.S. Jeba Reeda, et al.
Chemical Physics Impact (2024) Vol. 8, pp. 100558-100558
Open Access | Times Cited: 3
Gnana Bharathy, Johanan Christian Prasana, V.S. Jeba Reeda, et al.
Chemical Physics Impact (2024) Vol. 8, pp. 100558-100558
Open Access | Times Cited: 3
Structural, Spectral, Pharmacokinetics Analysis (in-Silico), Drug-Likeness, NCI Analysis (ELF, LOL, IRI & DORI) & Molecular Docking Computations of 2-Hydroxy 2-Phenyl Acetophenone a DFT Approaches
S. Mallika, N. Thirughanasambantham, B.K. Revathi, et al.
Polycyclic aromatic compounds (2024), pp. 1-33
Closed Access | Times Cited: 3
S. Mallika, N. Thirughanasambantham, B.K. Revathi, et al.
Polycyclic aromatic compounds (2024), pp. 1-33
Closed Access | Times Cited: 3
Synthesis, solvation effects, spectroscopic, chemical reactivity, topological analysis and biological evaluation of 4-chloro-N-(2, 6-dichlorobenzylidene) benzohydrazide
V. Rajmohan, S. Deepa, S. Asha, et al.
Journal of Molecular Liquids (2023) Vol. 390, pp. 122955-122955
Closed Access | Times Cited: 9
V. Rajmohan, S. Deepa, S. Asha, et al.
Journal of Molecular Liquids (2023) Vol. 390, pp. 122955-122955
Closed Access | Times Cited: 9
Synthesis, experimental and theoretical spectroscopic electronic elucidation along with biological assessment and molecular docking studies on 2-(3-(1,4-diazepan-1-yl)propyl)isoindoline-1,3-dione − Antidepressant drug
R.M. Indirani, S. Geetha, V.S. Jeba Reeda, et al.
Journal of Molecular Liquids (2024) Vol. 409, pp. 125408-125408
Closed Access | Times Cited: 2
R.M. Indirani, S. Geetha, V.S. Jeba Reeda, et al.
Journal of Molecular Liquids (2024) Vol. 409, pp. 125408-125408
Closed Access | Times Cited: 2
Evaluation of N80 Carbon Steel Corrosion in 15 wt.% HCl Using Isatin-hydrazones: A Comprehensive Approach with Chemical, Electrochemical Techniques, and DFTB Calculations
Abdelkarim Ait Mansour, Abderrazzak El Moutaouakil Ala Allah, Hassane Lgaz, et al.
Journal of Molecular Structure (2024) Vol. 1321, pp. 139910-139910
Closed Access | Times Cited: 2
Abdelkarim Ait Mansour, Abderrazzak El Moutaouakil Ala Allah, Hassane Lgaz, et al.
Journal of Molecular Structure (2024) Vol. 1321, pp. 139910-139910
Closed Access | Times Cited: 2
Importance of solvent roles in molecular, electronic and dynamical properties, thermodynamic quantities, Mulliken charges, reactive analysis and molecular docking of 2-Bromo-1H-imidazole-4,5-dicarbonitrile
M. Lawrence, P. Rajesh, Ahmad Irfan, et al.
Journal of Molecular Liquids (2023) Vol. 388, pp. 122744-122744
Closed Access | Times Cited: 5
M. Lawrence, P. Rajesh, Ahmad Irfan, et al.
Journal of Molecular Liquids (2023) Vol. 388, pp. 122744-122744
Closed Access | Times Cited: 5
Synthesis, characterization, pharmaceutical evaluation, molecular docking and DFT calculations of a novel drug (E)-5-bromo-3-(phenylimino) indolin-2-one
A. Herlin Shamina, V. Bena Jothy, Mohd Asif, et al.
Journal of Molecular Liquids (2023) Vol. 391, pp. 123288-123288
Closed Access | Times Cited: 5
A. Herlin Shamina, V. Bena Jothy, Mohd Asif, et al.
Journal of Molecular Liquids (2023) Vol. 391, pp. 123288-123288
Closed Access | Times Cited: 5
A Perspective of the Amide Group Containing FDA Approved Anticancer Drugs from 2021–2022 (A Review)
Mohd Asif, Rohan Srivastava, Alisha Fatima, et al.
Russian Journal of Bioorganic Chemistry (2023) Vol. 49, Iss. 6, pp. 1165-1176
Closed Access | Times Cited: 5
Mohd Asif, Rohan Srivastava, Alisha Fatima, et al.
Russian Journal of Bioorganic Chemistry (2023) Vol. 49, Iss. 6, pp. 1165-1176
Closed Access | Times Cited: 5
Comprehensive analysis of (E)-3-(4-chlorophenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (4CP4MPO): Synthesis, Spectroscopic, salvation electronic properties, electron-hole transition, topological, Hirshfeld surface and molecular docking analysis
P. R. Buvaneswari, Manaswini Raj, K. Sudha, et al.
Chemical Physics Impact (2023) Vol. 8, pp. 100452-100452
Open Access | Times Cited: 5
P. R. Buvaneswari, Manaswini Raj, K. Sudha, et al.
Chemical Physics Impact (2023) Vol. 8, pp. 100452-100452
Open Access | Times Cited: 5
Solvents (Polar and non-polar) molecular interaction, antibonding & nonbonding, thermodynamic and MD simulation analysis on 1-(4-Aminophenyl)-4-(4-methoxyphenyl) piperazine − Antipsychotic drug
Krishna Murthy Potla, R. Sangeetha, D. Shanthi, et al.
Journal of Molecular Liquids (2024) Vol. 402, pp. 124743-124743
Closed Access | Times Cited: 1
Krishna Murthy Potla, R. Sangeetha, D. Shanthi, et al.
Journal of Molecular Liquids (2024) Vol. 402, pp. 124743-124743
Closed Access | Times Cited: 1
Anticancer potential of spirooxindole derivatives
Mohd Faiyyaz, Akanksha Tiwari, Saud Nusrat Ali, et al.
Elsevier eBooks (2024), pp. 605-619
Closed Access | Times Cited: 1
Mohd Faiyyaz, Akanksha Tiwari, Saud Nusrat Ali, et al.
Elsevier eBooks (2024), pp. 605-619
Closed Access | Times Cited: 1
Investigation of substituent effects on the electronic structure and antiviral activity of favipiravir derivatives for Covid-19 treatment using DFT and molecular docking
Dereje Fedasa Tegegn, Habtamu Zewude Belachew, Habtamu Fekadu Etefa, et al.
Scientific Reports (2024) Vol. 14, Iss. 1
Open Access | Times Cited: 1
Dereje Fedasa Tegegn, Habtamu Zewude Belachew, Habtamu Fekadu Etefa, et al.
Scientific Reports (2024) Vol. 14, Iss. 1
Open Access | Times Cited: 1
Medicinal significance of sp2/sp3 hybridized at C-3-substituted indole-containing lead molecules and FDA-approved drugs
Mohd Faiyyaz, Akanksha Tiwari, Nuzhat Bashir, et al.
Medicinal Chemistry Research (2024)
Closed Access | Times Cited: 1
Mohd Faiyyaz, Akanksha Tiwari, Nuzhat Bashir, et al.
Medicinal Chemistry Research (2024)
Closed Access | Times Cited: 1