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Anoop Kumar Pandey

Observed names: A.K. PANDEY, ANOOP KUMAR PANDEY, ANOOP PANDEY, Anoop K. Pandey, Anoop PANDEY, Anoop Pandey, Anoop kumar Pandey, Pandey, Anoop Kumar
ORCID: 0000-0002-5410-1312
Observed ORCID: 0000-0002-5410-1312
OpenAlex ID: A5013968282
FT-IR spectroscopy, intra-molecular C−H⋯O interactions, HOMO, LUMO, MESP analysis and biological activity of two natural products, triclisine and rufescine: DFT and QTAIM approaches
2014 · Ambrish Kumar Srivastava, Anoop Kumar Pandey, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 76
Electronic Structure, Nonlinear Optical Properties, and Vibrational Analysis of Gemifloxacin by Density Functional Theory
2012 · Shamoon Ahmad Siddiqui, Tabish Rasheed, et al. · Spectroscopy An International Journal · 27
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Structural, Electronic, and Vibrational Properties of Isoniazid and Its Derivative N-Cyclopentylidenepyridine-4-carbohydrazide: A Quantum Chemical Study
2014 · Anoop kumar Pandey, Abhishek Bajpai, et al. · Journal of Theoretical Chemistry · 22
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Molecular structure and vibrational spectra of 2-formyl benzonitrile by density functional theory and ab initio Hartree–Fock calculations
2007 · Neeraj Misra, Onkar Prasad, et al. · Journal of Molecular Structure THEOCHEM · 22
Molecular docking, experimental FT-IR spectra, UV–Vis spectra, vibrational analysis, electronic properties, Fukui function analysis of a potential bioactive agent – Proflavine
2022 · Anoop Kumar Pandey, D.V. Shukla, et al. · Journal of the Indian Chemical Society · 18
Investigation of superhalogen properties of RhFn (n=1–7) clusters using quantum chemical method
2012 · Shamoon Ahmad Siddiqui, Anoop Kumar Pandey, et al. · Journal of Fluorine Chemistry · 18
Comparative Study of Vibrational Spectra of Two Bioactive Natural Products Lupeol and Lupenone Using MM/QM Method
2012 · Apoorva Dwivedi, Anoop Kumar Pandey, et al. · Spectroscopy An International Journal · 17
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Comparative Study of Molecular Docking, Structural, Electronic, Vibrational Spectra and Fukui Function Studies of Thiadiazole Containing Schiff Base – A Complete Density Functional Study
2020 · Anoop Kumar Pandey, Vikas Baboo, et al. · Polycyclic aromatic compounds · 14
Molecular Structure, Vibrational Spectra and Potential Energy Distribution of Colchicine Using ab Initio and Density Functional Theory
2009 · Shamoon Ahmad SIDDIQUI, Apoorva DWIVEDI, et al. · Journal of Computer Chemistry Japan · 13
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Quantum chemical study of PtF and PtCl (n= 1–6) complexes: An investigation of superhalogen properties
2011 · Shamoon Ahmad Siddiqui, Tabish Rasheed, et al. · Computational and Theoretical Chemistry · 12
Vibrational analysis and electronic properties of 2-Decenoic acid and its derivative by first principles
2011 · Apoorva Dwivedi, Anoop Kumar Pandey, et al. · Spectroscopy An International Journal · 12
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Influence of electric field on the electro-optical and electronic properties of 4-n-alkoxy-4$$^\prime $$-cyanobiphenyl liquid crystal series: An application of DFT
2023 · Anoop Kumar Pandey, Abhishek Kumar, et al. · Pramana · 11
C60 as Electron Acceptor and Donor: A Comparative DFT Study of Li@C60 and F@C60
2018 · Ambrish Kumar Srivastava, Sarvesh Kumar Pandey, et al. · Australian Journal of Chemistry · 11
Density functional theory study on the molecular structure of loganin
2011 · Anoop Kumar Pandey, Shamoon Ahmad Siddiqui, et al. · Spectroscopy An International Journal · 11
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Structural, IR spectra NBO, TDDFT, AIM calculation, biological activity and docking property of [1,2,4]-triazolo[3,4-b][1,3,4] thiadiazole
2018 · Anoop Kumar Pandey, Dharmesh Vikram Shukla, et al. · Egyptian Journal of Basic and Applied Sciences · 10
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Investigations on the frontier orbitals of FeFn (n=1–6) superhalogen complexes and prediction of novel salt series Li-(FeFn)
2017 · Tabish Rasheed, Shamoon Ahmad Siddiqui, et al. · Journal of Fluorine Chemistry · 9
Isolation, Identification, Molecular and Electronic Structure, Vibrational Spectroscopic Investigation, and Anti-HIV-1 Activity of Karanjin Using Density Functional Theory
2014 · Anoop kumar Pandey, Abhishek Kumar Bajpai, et al. · Journal of Theoretical Chemistry · 9
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A combined experimental and quantum chemical studies on molecular structure, spectral properties, intra and intermolecular interactions and first hyperpolarizability of 4-(benzyloxy)benzaldehyde thiosemicarbazone and its dimer
2012 · Amit Kumar, Poonam Rawat, et al. · Journal of Molecular Structure · 9
Structural, Vibrational and Electronic Properties of cis and trans Conformers of 4-Hydroxy-l-Proline: A Density Functional Approach
2014 · Ambrish K. Srivastava, Anoop K. Pandey, et al. · The Journal of Atomic and Molecular Sciences · 8
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Ab Initio Study of the Endohedral Fullerene PbH4@C60
2014 · Apoorva Dwivedi, Anoop Kumar Pandey · Fullerenes Nanotubes and Carbon Nanostructures · 7
Variation in Structural Chemical Reactivity and Nonlinear Optical (NLO) Properties of C56H16 Nanotube After Endohedral Doping of Superalkali (Na2F) and Superhalogen (BF4): A DFT Study
2023 · Vijay Singh, Apoorva Dwivedi, et al. · Chemistry Africa · 6
Computational Study of Adsorption Effects of Karanjin Drug Over Carbon Nanotube (C56H16) as Factor of Drug Delivery System — A Quantum Chemical Approach
2021 · Anoop Kumar Pandey, Vijay Singh, et al. · NANO · 6
Exploration of superhalogen nature of Pt(CN)n complexes (n = 1–6) and their abilities to form supersalts and superacids: a DFT–D3 study
2021 · Tabish Rasheed, Shamoon Siddiqui, et al. · Structural Chemistry · 6
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Quantum Mechanical Study on the Structure and Vibrational Spectra of Cyclobutanone and 1,2-Cyclobutanedione
2012 · Anoop kumar Pandey, Apoorva Dwivedi, et al. · Journal of Spectroscopy · 6
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Structural, Vibrational and Electronic Properties of Small Group IV Oxide Clusters in Lower and Higher Spin State: A DFT Study
2012 · Neeraj Misra, Apoorva Dwivedi, et al. · The Journal of Atomic and Molecular Sciences · 6
Works count: 82
Citation count: 454
H-index: 11
I10-index: 15
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