| Selectivity in gas adsorption by molecular cucurbit [6] uril S Pan, R Saha, S Mandal, S Mondal, A Gupta, MA Fernandez-Herrera, ... The Journal of Physical Chemistry C 120 (26), 13911-13921, 2016 | 52 | 2016 |
| 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 | 52 | 2015 |
| 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 | 41 | 2015 |
| 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 | 28 | 2016 |
| 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 | 25 | 2009 |
| 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 | 24 | 2012 |
| 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 | 17 | 2010 |
| 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 | 17 | 2008 |
| 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 | 16 | 2017 |
| 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 | 16 | 2015 |
| 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, ... Chemistry–A European Journal 28 (4), e202103452, 2022 | 13 | 2022 |
| Collecting samples hierarchically in a datacenter G Rastogi, A Gupta US Patent 11,044,180, 2021 | 13 | 2021 |
| Indium (0)‐Mediated C–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 | 13 | 2014 |
| Quantitative structure-activity/Property/Toxicity relationships through conceptual density functional theory-based reactivity descriptors S Pan, AK Gupta, V Subramanian, PK Chattaraj Pharmaceutical Sciences: Breakthroughs in Research and Practice, 1517-1572, 2017 | 12 | 2017 |
| Collecting samples hierarchically in a datacenter G Rastogi, A Gupta US Patent 11,171,849, 2021 | 11 | 2021 |
| 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, 849-858, 2017 | 11 | 2017 |
| User defined custom metrics A Gupta, G Rastogi, A Joglekar US Patent 10,999,168, 2021 | 10 | 2021 |
| 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, D Roy, R Sharma, V Subramanian, A Mitra, PK Chattaraj Chemometr. Appl. Res. QSAR Med. Chem, 183-214, 2016 | 9 | 2016 |
| 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 | 7 | 2011 |
| Feedback-based control system for software defined networks YUE Jonathan, G Rastogi, A Gupta, B Prajval US Patent App. 17/860,044, 2023 | 6 | 2023 |
