Articles with public access mandates - Samir H. MushrifLearn more
Not available anywhere: 23
Porous structured CuO-CeO2 nanospheres for the direct oxidation of cellobiose and glucose to gluconic acid
PN Amaniampong, QT Trinh, K Li, SH Mushrif, Y Hao, Y Yang
Catalysis Today 306, 172-182, 2018
Mandates: National Research Foundation, Singapore
Catalytic oxidation of cellobiose over TiO 2 supported gold-based bimetallic nanoparticles
PN Amaniampong, X Jia, B Wang, SH Mushrif, A Borgna, Y Yang
Catalysis Science & Technology 5 (4), 2393-2405, 2015
Mandates: A*Star, Singapore
Catalytic materials and chemistry development using a synergistic combination of machine learning and ab initio methods
NV Orupattur, SH Mushrif, V Prasad
Computational Materials Science 174, 109474, 2020
Mandates: Natural Sciences and Engineering Research Council of Canada
A Combined Experimental and DFT Investigation of Selective Hydrodeoxygenation of Guaiacol over Bimetallic Carbides
CC Tran, O Mohan, A Banerjee, SH Mushrif, S Kaliaguine
Energy & Fuels 34 (12), 16265-16273, 2020
Mandates: Natural Sciences and Engineering Research Council of Canada
Investigating CO2 Methanation on Ni and Ru: DFT Assisted Microkinetic Analysis
O Mohan, S Shambhawi, R Xu, AA Lapkin, SH Mushrif
ChemCatChem 13 (10), 2420-2433, 2021
Mandates: Natural Sciences and Engineering Research Council of Canada, National …
Investigating methane dry reforming on Ni and B promoted Ni surfaces: DFT assisted microkinetic analysis and addressing the coking problem
O Mohan, AA Lapkin, SH Mushrif
Catalysis Science & Technology 10 (19), 6628-6643, 2020
Mandates: Natural Sciences and Engineering Research Council of Canada, National …
Novel Nickel-Based Single-Atom Alloy Catalyst for CO2 Conversion Reactions: Computational Screening and Reaction Mechanism Analysis
O Mohan, R Xu, SH Mushrif
The Journal of Physical Chemistry C 125 (7), 4041-4055, 2021
Mandates: Natural Sciences and Engineering Research Council of Canada
Origins of covalent linkages within the lignin–carbohydrate network of biomass
S Beck, P Choi, SH Mushrif
Physical Chemistry Chemical Physics 24 (34), 20480-20490, 2022
Mandates: Natural Sciences and Engineering Research Council of Canada, Canada First …
Insights into the role of water and surface OH species in methane activation on copper oxide: a combined theoretical and experimental study
K Bhola, QT Trinh, D Liu, Y Liu, SH Mushrif
Catalysis Science & Technology 13 (23), 6764-6779, 2023
Mandates: Natural Sciences and Engineering Research Council of Canada, A*Star …
Understanding the effect of solvent environment on the interaction of hydronium ion with biomass derived species: A Molecular Dynamics and Metadynamics investigation
JC Velasco Calderón, S Jiang, SH Mushrif
ChemPhysChem 22 (21), 2222-2230, 2021
Mandates: Natural Sciences and Engineering Research Council of Canada
Chemoinformatic investigation of the chemistry of cellulose and lignin derivatives in hydrous pyrolysis
F Sattari, D Tefera, K Sivaramakrishnan, SH Mushrif, V Prasad
Industrial & Engineering Chemistry Research 59 (25), 11582-11595, 2020
Mandates: Natural Sciences and Engineering Research Council of Canada
Understanding the role of hydrogen bonding in Brønsted acidic ionic liquid-catalyzed transesterification: a combined theoretical and experimental investigation
K Li, Y Yan, J Zhao, J Lei, X Jia, SH Mushrif, Y Yang
Physical Chemistry Chemical Physics 18 (48), 32723-32734, 2016
Mandates: National Research Foundation, Singapore
Doping an Oxophilic Metal into a Metal Carbide: Unravelling the Synergy between the Microstructure of the Catalyst and Its Activity and Selectivity for Hydrodeoxygenation
S Bathla, CC Tran, S Kaliaguine, SH Mushrif
ACS Catalysis 12 (22), 13980-13998, 2022
Mandates: Natural Sciences and Engineering Research Council of Canada, Canada First …
Molecular insights into the activity and stability of popular methane reforming catalysts using quantum mechanical tools
K Hassan-Legault, O Mohan, SH Mushrif
Current Opinion in Chemical Engineering 26, 38-45, 2019
Mandates: Natural Sciences and Engineering Research Council of Canada
Transition metal carbide catalysts for Upgrading lignocellulosic biomass-derived oxygenates: A review of the experimental and computational investigations into structure …
D Akmach, S Bathla, CC Tran, S Kaliaguine, SH Mushrif
Catalysis Today, 114285, 2023
Mandates: Natural Sciences and Engineering Research Council of Canada, Canada First …
Pyrolytic activation of cellulose: energetics and condensed phase effects
AMD Padmanathan, SH Mushrif
Reaction Chemistry & Engineering 7 (5), 1136-1149, 2022
Mandates: Natural Sciences and Engineering Research Council of Canada, Canada First …
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
Mandates: UK Engineering and Physical Sciences Research Council, National Research …
Physico-chemical interactions within lignocellulosic biomass and their importance in developing solvent based deconstruction methods
S Beck, P Choi, SH Mushrif
Reaction Chemistry & Engineering 7 (12), 2471-2487, 2022
Mandates: Natural Sciences and Engineering Research Council of Canada, Canada First …
Determining surface-specific Hubbard-U corrections and identifying key adsorbates on nickel and cobalt oxide catalyst surfaces
S Jiang, SH Mushrif
Physical Chemistry Chemical Physics 25 (12), 8903-8912, 2023
Mandates: Natural Sciences and Engineering Research Council of Canada
Water-assisted hydrogenation of aromatics under ambient conditions over Ru catalyst: A combined experimental and computational investigation
B Priya, S Bathla, A Kumar, SK Singh, SH Mushrif
Journal of Catalysis 434, 115522, 2024
Mandates: Council of Scientific and Industrial Research, India, Department of Science …
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