Publications

No. of Publications: 29 (Google Scholar Link)=>

S.No., Title, Year of Publication, Impact Factor

29. Metal-free electrochemical regioselective aromatic C–H bromination of N,N-disubstituted anilines using propargyl bromide as the unprecedented bromine source, S. Chowdhury, S. Pandey, A. Gupta, A. Kumar, Tetrahedron, 120, 132902, 2022, Impact Factor (2.457).

28. Non-Heme-Iron-Mediated Selective Halogenation of Unactivated Carbon-Hydrogen Bonds, K. Bleher, P. Comba, D. Faltermeier, A. Gupta, M. Kerscher, S. Krieg, B. Martin, G. Velmurugan, S. Yang, Chemistry—A European Journal, 28 (4), e202103452, 2022, Impact Factor (5.236).

27. Complexation of Mono-anionic Bidentate Ligand Dithiocarbamate with σ-Aromatic M3+ Clusters: A DFT Study, V. K. Singh, A. Srivastav, A. Gupta, Journal of Chemical Sciences, 133, 1-12, 2021, Impact Factor (1.235)

26. Exploring the mechanism of conversion of monosulfiram into disulfiram, V.K.Singh, S.Gupta, A Gupta, Indian Journal of Chemistry, Section-A, Vol. 58A, pp. 429-435, 2019, Impact Factor (0.566).

25. Influence of stacking on the ground and excited states of 2-aminopyridine, A Gupta, B. K. Mishra, N. Sathyamurthy, Computational and Theoretical Chemistry 1148, 60-66, 2019, Impact Factor (1.403)

24.Endohedral Gas Adsorption by Cucurbit [7] uril: A Theoretical Study , S Pan, G Jana, A Gupta , G Merino, PK Chattaraj, Physical Chemistry Chemical Physics, 19 (36), 24448-24452, 2017, Impact Factor (4.198)

23.Modeling of 1-D Nanowires and analyzing their Hydrogen and Noble Gas Binding Ability , S Pan, R Saha, A Gupta , PK Chattaraj, Journal of Chemical Sciences 129 (7), 849-858, 2017, Impact Factor (1.224)

22. A noble interaction: An assessment of noble gas binding ability of metal oxides (metal= Cu, Ag, Au) , S Pan, R Saha, A Kumar, A Gupta , G Merino, PK Chattaraj, International Journal of Quantum Chemistry 116 (13), 1016-1024, 2016, Impact Factor (1.432)

21. Selectivity in gas adsorption by molecular cucurbit [6] uril , S Pan, R Saha, S Mandal, S Mondal, A Gupta , MA Fernández-Herrera, ... The Journal of Physical Chemistry C 120 (26), 13911-13921, 2016, Impact Factor (4.772)

20. Application of conceptual density functional theory in developing qsar models and their usefulness in the prediction of biological activity and toxicity of molecules , S Pan, A Gupta , Dr Roy, RK Sharma, V Subramanian, A Mitra, ..., Chemometrics Applications and Research: QSAR in Medicinal Chemistry, 183, 2016

19. A coupled‐cluster study on the noble gas binding ability of metal cyanides versus metal halides (metal= Cu, Ag, Au) , S Pan, A Gupta , R Saha, G Merino, PK Chattaraj, Journal of computational chemistry 36 (29), 2168-2176, 2015, Impact Factor (3.589)

18. Quantitative Structure-Activity/Property/Toxicity Relationships through Conceptual Density Functional Theory-Based Reactivity Descriptors , S Pan, A Gupta , V Subramanian, PK Chattaraj, Quantitative Structure-Activity Relationships in Drug Design, Predictive ..., 2015

17. Synthesis of 3-hydroxyindanones via potassium salt of amino acid catalyzed regioselective intramolecular aldolization of ortho-diacylbenzenes , T Chanda, S Chowdhury, N Anand, S Koley, A Gupta , MS Singh, Tetrahedron Letters 56 (8), 981-985, 2015, Impact Factor (2.391).

16. Metastable behavior of noble gas inserted tin and lead fluorides , S Pan, A Gupta , S Mandal, D Moreno, G Merino, PK Chattaraj, Physical Chemistry Chemical Physics 17 (2), 972-982, 2015, Impact Factor (4.198).

15. Indium (0)‐Mediated C sp 3–S/O Cross‐Coupling Approach Towards the Regioselective Alkylation of α‐Enolic Esters/Dithioesters: A Mechanistic Insight , S Chowdhury, T Chanda, A Gupta , S Koley, BJ Ramulu, RCF Jones, ..., European Journal of Organic Chemistry 2014 (14), 2964-2971, 2014, Impact Factor (3.154)

14. Efficient synthesis of 13-to 20-membered Schiff base macrocycles via non-template method , MS Singh, RK Vermaa, S Singh, A Gupta, Indian Journal of Chemistry 51, 866-870, 2012, Impact Factor (0.489)

13. Electron attachment to the guanine–cytosine nucleic acid base pair and the effects of monohydration and proton transfer , A Gupta , HM Jaeger, KR Compaan, HF Schaefer III, The Journal of Physical Chemistry B 116 (19), 5579-5587, 2012, Impact Factor (3.377)

12. Modeling ecotoxicity as applied to some selected aromatic compounds: a conceptual DFT based quantitative-structure-toxicity-relationship (QSTR) analysis , S Giri, A Chakraborty, A Gupta , DR Roy, R Vijayaraj, R Parthasarathi, ..., Advanced methods and applications in chemoinformatics: research progress and ..., 2012

11. Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds: A Quantitative-Structure-Toxicity-Relationship (QSTR) , A Gupta , A Chakraborty, S Giri, V Subramanian, P Chattaraj, International Journal of Chemoinformatics and Chemical Engineering (IJCCE) 1 ..., 2011

10. Microwave assisted synthesis, chemiluminescent and theoretical studies of bromoalkyl esters of acridine-9-carboxylic acid , S Samai, GC Nandi, P Singh, A Gupta , MS Singh, NISCAIR-CSIR, India, 2011, Impact Factor (0.489)

9. Synthesis of New Benzosubstituted Dioxaphosphonines Containing Quinoxaline Subunit , P Singh, R Tripathi, RK Verma, GC Nandi, A Gupta , MS Singh, Phosphorus, Sulfur, and Silicon 185 (10), 2142-2151, 2010, Impact Factor (0.827)

8. Phase Equilibria, Crystallization, and Microstructural Studies of Naphthalen-2-ol+ 1, 3-Dinitrobenzene , T Agrawal, P Gupta, SS Das, A Gupta , NB Singh, Journal of Chemical & Engineering Data 55 (10), 4206-4210, 2010, Impact Factor (2.045)

7. Designing hydroxy-functionalized chiral salen ligand and its use in the synthesis of dioxadiazasilamacroheterocycles , MS Singh, P Singh, A Gupta CSIR

2010, Impact Factor (0.489)

6. Ab initio and DFT investigations for the isatin dimer , VB Singh, A Gupta , MK Singh, Journal of Molecular Structure: THEOCHEM 909 (1), 6-8

2009, Impact Factor (1.369)

5. Fluctuations at the Base Pair Level Effecting Charge Transfer in DNA , SS Mallajosyula, A Gupta , SK Pati, The Journal of Physical Chemistry A 113 (16), 3955-3962

2009, Impact Factor (2.847)

4.Facile one pot synthesis of dioxazadibenzocyclodecene-6-one, 6-thione and other homologues , MS Singh, P Singh, P Singh, A Gupta, Arkivoc 7, 189-196

2009, Impact Factor (1.165)

3. Vanillin–p-anisidine system: solid-state reaction and density functional theory studies , NB Singh, SS Das, P Gupta, A Gupta , R Fröhlich, Molecular Crystals and Liquid Crystals 490 (1), 106-123, 2008, Impact Factor (0.491)

2. Molecular interaction between naphthalene and 2, 4-dinitrophenol in solid state , NB Singh, A Srivastava, NP Singh, A Gupta, Molecular Crystals and Liquid Crystals 474 (1), 43-54, 2007, Impact Factor (0.491)

Quantum chemical investigation of the reaction of O (3 P 2) with certain hydrocarbon radicals , A Gupta , RP Singh, VB Singh, BK Mishra, N Sathyamurthy, Journal of Chemical Sciences-Bangalore- 119 (5), 457, 2007, Impact Factor (1.224)

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