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, Ndisubstituted anilines using propargyl bromide as the unprecedented bromine source, S. Chowdhury, S. Pandey, A. Gupta, Ajay Kumar, Tetrahedron, doi: https://www.sciencedirect.com/science/article/abs/pii/S0040402022003350?via%3Dihub, 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. Kreig, B. Martin, G. Velmurugan, S. Yang, Chemistry-A European Journal, doi: https://doi.org/10.1002/chem.202103452, 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)