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P. Divya

Observed names: Divya P, Divya, P, Divya, P., Divya, Pillutla, Pillutla Divya
ORCID: 0009-0008-8430-5130
Observed ORCID: 0009-0008-8430-5130
OpenAlex ID: A5085252151
Conformational stability, quantum computational (DFT), vibrational, electronic and non-covalent interactions (QTAIM, RDG and IGM) of antibacterial compound N-(1-naphthyl)ethylenediamine dihydrochloride
2023 · V．S． Jeba Reeda, S. Sakthivel, et al. · Journal of Molecular Structure · 88
Fungicide compound 2, 3-dichloronaphthalene-1, 4-dione: Non-covalent interactions (QTAIM, RDG and ELF), combined vibrational spectroscopic investigations using DFT approach with experimental analysis, electronic, molecular docking scrutiny in-vitro assay and thermodynamic property analysis
2024 · P. Divya, V.S. Jeba Reeda, et al. · Journal of Molecular Liquids · 40
Anion Driven [CuIIL2]n Frameworks: Crystal Structures, Guest-Encapsulation, Dielectric, and Possible Ferroelectric Properties
2014 · Anant Kumar Srivastava, B. Praveenkumar, et al. · Chemistry of Materials · 40
Structural activity, spectroscopic, Fukui, NCI, AIM, IGM combined with molecular docking and molecular dynamics simulation on 4-methylpyridinium 4-hydroxybenzoate-potent drug anti-leukemia cancer
2023 · P. Divya, V.S. Jeba Reeda, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 38
Synthesis, spectroscopic investigations, topological non-covalent interactions, chemical reactivity, molecular docking and molecular dynamic simulation on piperazine succinate - A potential antimicrobial compound
2023 · V.S. Jeba Reeda, P. Divya, et al. · Journal of Molecular Structure · 34
Theoretical spectroscopic electronic elucidation with polar and non-polar solvents (IEFPCM model), molecular docking and molecular dynamic studies on bendiocarb -antiallergic drug agent
2024 · P. Divya, V.S. Jeba Reeda, et al. · Journal of Molecular Liquids · 33
Potentially Ferroelectric {CuIIL2} n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly
2015 · Anant Kumar Srivastava, Pillutla Divya, et al. · Chemistry of Materials · 33
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
2024 · Suja. R, Suja. R, et al. · Journal of Molecular Structure · 28
Synthesis and Evaluation of Hydroxyapatite Ceramics
2005 · Deepak K. Pattanayak, Pillutla Divya, et al. · Trends in Biomaterials and Artificial Organs · 28
Density functional theoretical analysis with experimental, invitro bioactivity and molecular docking investigations on the pesticide Albendazole
2018 · P. Divya, V. Bena Jothy · Chemical Physics Letters · 25
Spectroscopic investigations and electronic transitions, topology studies, and biological assay of a potent antimicrobial compound: 2-amino-pyrimidine benzoic acid
2023 · P. Divya, V. S. Jeba Reeda, et al. · Spectroscopy Letters · 22
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
2024 · V.S. Jeba Reeda, P. Divya, et al. · Journal of Molecular Structure · 21
Anion-induced ferroelectric polarization in a luminescent metal–organic cage compound
2017 · Ashok Yadav, Anant Kumar Srivastava, et al. · Journal of Materials Chemistry C · 21
Vibrational analysis, DFT computations of spectroscopic, non-covalent analysis with molecular docking and dynamic simulation of 2-amino-4, 6-dimethyl pyrimidine benzoic acid
2024 · P. Divya, V.S. Jeba Reeda, et al. · Journal of Molecular Structure · 20
Structural insights and ADMET analysis of CAFI: hydrogen bonding, molecular docking, and drug-likeness in renal function enhancers
2025 · P. Divya, V. S. Jeba Reeda, et al. · BMC Chemistry · 19
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Pesticidal compound Pirimicarb: Spectral analysis, DFT computations, molecular docking study and in vitro bioactivity
2018 · P. Divya, P. Muthuraja, et al. · Chemical Physics Letters · 18
Quantum chemical computational analysis, electronic transitions, interaction mechanisms analysis by spectroscopic, molecular docking, and molecular dynamic simulation of retinol
2024 · V.S. Jeba Reeda, P. Divya, et al. · Spectroscopy Letters · 17
Hydrogen bonding interactions on molecular properties of pesticidal compound 4-nitrophthalic acid: experimental density functional theory computations, electron localized function, localized orbital locator analysis and molecular docking scrutiny
2022 · P. Divya, P. Muthuraja, et al. · Spectroscopy Letters · 16
Thermodynamic and computational study of non-electrolyte solutions: Insights into molecular interactions
2025 · K. Keerthi, EA Lohith, et al. · The Journal of Chemical Thermodynamics · 14
Structural, Fukui, non-covalent analysis, molecular docking, free energy landscapes, and principle component analysis of biological active 1,8-naphthalic anhydride
2024 · V. S. Jeba Reeda, J. N. CheerlinMishma, et al. · Spectroscopy Letters · 13
Altering polarization attributes in ferroelectric metallo-cavitands by varying hydrated alkali-metal guest cations
2017 · Anant Kumar Srivastava, Thangavel Vijayakanth, et al. · Journal of Materials Chemistry C · 11
Fe Doped Hard PZT Ceramics for High Power SONAR Transducers
2015 · S.R Sangawar, B. Praveenkumar, et al. · Materials Today Proceedings · 8
Computational and Spectroscopic Investigation of Dl‐Methionine as a Potential Anti‐Breast Cancer Agent
2025 · V.S. Jeba Reeda, P. Divya, et al. · ChemistrySelect · 5
Leveraging the properties of pyridine derivatives using DFT analysis to achieve breakthroughs in supercapacitance advancements
2024 · A. Amala Jeya Ranchani, V. S. Jeba Reeda, et al. · Ionics · 4
Structural and electrochemical investigation of benzimidazole picolinic acid derivatives for sustainable energy storage applications
2025 · P. Divya, A. Amala Jeya Ranchani, et al. · Scientific Reports · 3
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Works count: 65
Citation count: 611
H-index: 17
I10-index: 21
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