Dr. Gourhari Jana
Dr. Gourhari Jana
IIT Kharagpur | SNBNCBS | IIT Bombay | UC Irvine | MSU | IACS
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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
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
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
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
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
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
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
Ecotoxicological QSARs
K Roy
Humana Press, 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
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
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
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
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
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
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
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
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
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
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
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
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