Dr. Gourhari Jana
Dr. Gourhari Jana
IIT Kharagpur | SNBNCBS | IIT Bombay | UC Irvine | UW | MSU
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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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Intriguing Structural, Bonding and Reactivity Features in Some Beryllium Containing Complexes
S Pan, G Jana, R Saha, L Zhao, PK Chattaraj
Phys. Chem. Chem. Phys 22, 27476 - 27495, 2020
A conceptual DFT analysis of the plausible mechanism of some pericyclic reactions
A Morales-Bayuelo, J Sánchez-Márquez, G Jana, PK Chattaraj
Structural Chemistry 115, 1-12, 2020
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