| 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 | 187 | 2019 |
| 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 | 116 | 2018 |
| 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 | 72 | 2014 |
| 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 | 71 | 2016 |
| 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 | 61 | 2017 |
| 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 | 47 | 2017 |
| 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 | 46 | 2018 |
| 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 | 38 | 2020 |
| 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 | 36 | 2015 |
| 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 | 23 | 2023 |
| Computational design of catalysts for bio-waste upgrading JJ Varghese Current Opinion in Chemical Engineering 26, 20-27, 2019 | 14 | 2019 |
| 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 | 14 | 2015 |
| 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 | 10 | 2023 |
| Decarbonization in Australia and India: Bilateral Opportunities and Challenges for the Net Zero Transformation DMDA Marcello B. Solomon, Swapna S. Rabha, Gustavo Fimbres-Weihs, Himanshu ... ACS Engineering Au 4 (3), 295-311, 2024 | 9 | 2024 |
| 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 | 9 | 2022 |
| 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 | 8 | 2021 |
| 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 | 7 | 2022 |
| 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 12 (13), 5197-5210, 2024 | 5 | 2024 |
| Surface reactivity of VOx/CeO2 (1 1 1) and the impact of transition metal doping of CeO2 support on oxidative dehydrogenation of propane AP Pushkar, JJ Varghese Journal of Catalysis 425, 372-385, 2023 | 4 | 2023 |
| Iterative multiscale and multi-physics computations for operando catalyst nanostructure elucidation and kinetic modeling A Rajan, AP Pushkar, BC Dharmalingam, JJ Varghese Iscience 26 (7), 2023 | 4 | 2023 |
Samir H. MushrifProfessor, Chemical & Materials Engineering, University of Alberta, CanadaE-mail megerősítve itt: ualberta.ca