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Jithin John Varghese
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Origins of complex solvent effects on chemical reactivity and computational tools to investigate them: a review
JJ Varghese, SH Mushrif
Reaction Chemistry & Engineering 4 (2), 165-206, 2019
1412019
Unraveling the mechanism of the oxidation of glycerol to dicarboxylic acids over a sonochemically synthesized copper oxide catalyst
PN Amaniampong, QT Trinh, JJ Varghese, R Behling, S Valange, ...
Green Chemistry 20 (12), 2730-2741, 2018
932018
Insights into the Cr (III) catalyzed isomerization mechanism of glucose to fructose in the presence of water using ab initio molecular dynamics
SH Mushrif, JJ Varghese, DG Vlachos
Physical chemistry chemical physics 16 (36), 19564-19572, 2014
652014
Insights into the synergistic role of metal–lattice oxygen site pairs in four-centered C–H bond activation of methane: the case of CuO
JJ Varghese, QT Trinh, SH Mushrif
Catalysis Science & Technology 6 (11), 3984-3996, 2016
602016
Insights into the C–H bond activation on NiO surfaces: The role of nickel and oxygen vacancies and of low valent dopants on the reactivity and energetics
JJ Varghese, SH Mushrif
The Journal of Physical Chemistry C 121 (33), 17969-17981, 2017
522017
Synergistic contribution of the acidic metal oxide–metal couple and solvent environment in the selective hydrogenolysis of glycerol: A combined experimental and computational …
JJ Varghese, L Cao, C Robertson, Y Yang, LF Gladden, AA Lapkin, ...
ACS Catalysis 9 (1), 485-503, 2018
432018
Influence of Hubbard U parameter in simulating adsorption and reactivity on CuO: Combined theoretical and experimental study
K Bhola, JJ Varghese, L Dapeng, Y Liu, SH Mushrif
The Journal of Physical Chemistry C 121 (39), 21343-21353, 2017
432017
Solvation dynamics and energetics of intramolecular hydride transfer reactions in biomass conversion
SH Mushrif, JJ Varghese, CB Krishnamurthy
Physical Chemistry Chemical Physics 17 (7), 4961-4969, 2015
352015
Adsorption of hydrogen and carbon dioxide in zeolitic imidazolate framework structure with SOD topology: experimental and modelling studies
NSKPS Rimita Bose, Jayashree Ethiraj, Palla Sridhar, Jithin J. Varghese
Adsorption, 2020
272020
First-principles investigation of the dissociation and coupling of methane on small copper clusters: Interplay of collision dynamics and geometric and electronic effects
JJ Varghese, SH Mushrif
The Journal of chemical physics 142 (18), 2015
122015
Computational design of catalysts for bio-waste upgrading
JJ Varghese
Current Opinion in Chemical Engineering 26, 20-27, 2019
102019
Unravelling the role of metal-metal oxide interfaces of Cu/ZnO/ZrO2/Al2O3 catalyst for methanol synthesis from CO2: Insights from experiments and DFT-based microkinetic modeling
BC Dharmalingam, M Mureddu, L Atzori, S Lai, A Pettinau, NS Kaisare, ...
Applied Catalysis B: Environmental 332, 122743, 2023
92023
Assembly of Two-Dimensional Metal Organic Framework Superstructures via Solvent-Mediated Oriented Attachment
NA Jose, JJ Varghese, SH Mushrif, HC Zeng, AA Lapkin
The Journal of Physical Chemistry C 125 (41), 22837-22847, 2021
72021
Impact of surface-active site heterogeneity and surface hydroxylation in Ni doped ceria catalysts on oxidative dehydrogenation of propane
AP Pushkar, JJ Varghese
Journal of Catalysis 413, 681-691, 2022
62022
Crystallographic and computational investigations of structural properties in phenyl and methoxy‑phenyl substituted 1, 4 dihydropyridine derivatives
J Ethiraj, R Ajin, RK Sankaranarayanan, R Sekar, D Veeman, MJ Nanjan, ...
Journal of Molecular Structure 1254, 132378, 2022
52022
Towards selective glycerol hydrodeoxygenation to 1, 3-propanediol with effective Pt-WOx catalyst design: Insights from first principles
A Rajan, JJ Varghese
Journal of Catalysis 423, 94-104, 2023
32023
Iterative multiscale and multi-physics computations for operando catalyst nanostructure elucidation and kinetic modeling
A Rajan, AP Pushkar, BC Dharmalingam, JJ Varghese
Iscience, 2023
32023
Impact of solvent sulfolane in enhancing methanol selectivity during methane partial oxidation on Fe-ZSM5 catalyst with H2O2 as an oxidant
BSS Rengam, P Venkatesh, JJ Varghese
Reaction Chemistry & Engineering 8 (6), 1260-1269, 2023
12023
First-principles investigation of the coupling-induced dissociation of methane and its transformation to ethane and ethylene
JJ Varghese, B Saravanan, H Vach, GH Peslherbe, SH Mushrif
Chemical Physics Letters 708, 21-27, 2018
12018
Intermediate Transfer Rates and Solid-State Ion Exchange are Key Factors Determining the Bifunctionality of In2O3/HZSM-5 Tandem CO2 Hydrogenation Catalyst
F Mahnaz, JR Mangalindan, BC Dharmalingam, J Vito, YT Lin, M Akbulut, ...
ACS Sustainable Chemistry & Engineering, 2024
2024
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