NEVAE: A Deep Generative Model for Molecular Graphs B Samanta, DE Abir, G Jana, PK Chattaraj, N Ganguly, MG Rodriguez Journal of Machine Learning Research 21 (114), 1-33, 2020 | 229 | 2020 |
Modified Particle Swarm Optimization Algorithms for the Generation of Stable Structures of Carbon Clusters, Cn (n = 3-6, 10) G Jana, A Mitra, S Pan, S Sural, PK Chattaraj Front. Chem., 485, 2019 | 46 | 2019 |
Noble-Noble Strong Union: Gold at its Best to Make a Bond with a Noble Gas Atom S Pan, G Jana, G Merino, PK Chattaraj ChemistryOpen Review 8, 1-16, 2018 | 45 | 2018 |
How Far Can One Push The Noble Gases Towards Bonding?: A Personal Account R Saha, G Jana, S Pan, G Merino, PK Chattaraj Molecules Review 24 (16), 2933, 2019 | 39 | 2019 |
Low operating voltage organic field-effect transistors with gelatin as a moisture-induced ionic dielectric layer: the issues of high carrier mobility S Mandal, A Mandal, G Jana, S Mallik, S Roy, A Ghosh, PK Chattaraj, ... ACS Applied Materials & Interfaces, 10.1021/acsami.0c01499, 2020 | 37 | 2020 |
Cyanide-Isocyanide Isomerization: Stability and Bonding in Noble Gas Inserted Metal Cyanides (Metal = Cu, Ag, Au) G Jana, S Pan, E Osorio, L Zhao, G Merino, PK Chattaraj Physical Chemistry Chemical Physics 20, 18491 - 18502, 2018 | 28 | 2018 |
A New Healable Polymer Material based on Ultrafast Diels-Alder ‘Click’ Chemistry using Triazolinedione and Fluorescent Anthracyl Derivatives; A Mechanistic Approach P Mondal, G Jana, PK Beheraa, PK Chattaraj, NK Singhaa Polym. Chem. 10 (10.1039/C9PY00499H), 5070-5079, 2019 | 26 | 2019 |
Ecotoxicological QSARs K Roy Humana Press, 2020 | 25 | 2020 |
MNgCCH (M= Cu, Ag, Au; Ng= Xe, Rn): the first set of compounds with M–Ng–C bonding motif G Jana, S Pan, G Merino, PK Chattaraj The Journal of Physical Chemistry A 121 (34), 6491-6499, 2017 | 25 | 2017 |
Noble gas inserted metal acetylides (metal= Cu, Ag, Au) G Jana, S Pan, G Merino, PK Chattaraj The Journal of Physical Chemistry A 122 (37), 7391-7401, 2018 | 22 | 2018 |
Noble Gas Binding Ability of Metal‐Bipyridine Monocationic Complexes (Metal= Cu, Ag, Au): A Computational Study G Jana, R Saha, S Pan, A Kumar, G Merino, PK Chattaraj ChemistrySelect 1 (18), 5842-5849, 2016 | 21 | 2016 |
Determination of Stable Structure of a Cluster using Convolutional Neural Network and Particle Swarm Optimization A Mitra, G Jana, R Pal, S Sural, PK Chattaraj Theor. Chem. Acc. 140, 30, 2021 | 19 | 2021 |
Hydrophobicity versus electrophilicity: A new protocol toward quantitative structure–toxicity relationship R Pal, G Jana, S Sural, PK Chattaraj Chem Biol Drug Des. 93 (6), 1083-1095, 2018 | 19 | 2018 |
Stable NCNgNSi (Ng= Kr, Xe, Rn) Compounds with Covalently Bound C‐Ng‐N Unit: Possible Isomerization of NCNSi through the Release of the Noble Gas Atom S Pan, G Jana, E Ravell, X Zarate, E Osorio, G Merino, PK Chattaraj Chemistry-A European Journal,2018 24 (12), 2879-2887, 2018 | 19 | 2018 |
Binding of small gas molecules by metal–bipyridyl monocationic complexes (metal= Cu, Ag, Au) and possible bond activations therein G Jana, S Pan, PK Chattaraj The Journal of Physical Chemistry A 121 (19), 3803-3817, 2017 | 18 | 2017 |
Fast “ES-Click” Reaction Involving Furfuryl and Triazolinedione Functionalities toward Designing a Healable Polymethacrylate P Mondal, G Jana, P Behera, PK Chattaraj, N Singha Macromolecules 53 (19), 8313–8323, 2020 | 17 | 2020 |
Quantitative Structure - Toxicity Relationship: An “In Silico Study” using Electrophilicity and Hydrophobicity as Descriptors G Jana, R Pal, S Sural, PK Chattaraj Int J Quantum Chem 120 (6), e26097, 2019 | 17 | 2019 |
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 |
A Machine Learning Technique towards Generating Minimum Energy Structures of Small Boron Clusters P Mitikiri, G Jana, S Sural, PK Chattaraj Int. J. Quantum Chem. 118 (17), e25672, 2018 | 15 | 2018 |
An Intramolecular Charge Transfer Induced Fluorescent Chemosensor for Selective Detection of Mercury (II) and its Self‐Turn‐On Inside Live Cells at Physiological pH A Kumar, R Ananthakrishnan, G Jana, PK Chattaraj, S Nayak, SK Ghosh ChemistrySelect 4 (17), 4810-4819, 2019 | 13 | 2019 |