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Mehdi Zare
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A multiple filter based neural network approach to the extrapolation of adsorption energies on metal surfaces for catalysis applications
AJ Chowdhury, W Yang, KE Abdelfatah, M Zare, A Heyden, GA Terejanu
Journal of chemical theory and computation 16 (2), 1105-1114, 2020
312020
Prediction of transition-state energies of hydrodeoxygenation reactions on transition-metal surfaces based on machine learning
K Abdelfatah, W Yang, R Vijay Solomon, B Rajbanshi, A Chowdhury, ...
The Journal of Physical Chemistry C 123 (49), 29804-29810, 2019
252019
Computational Investigation of Aqueous Phase Effects on the Dehydrogenation and Dehydroxylation of Polyols over Pt (111)
M Saleheen, M Zare, M Faheem, A Heyden
The Journal of Physical Chemistry C 123 (31), 19052-19065, 2019
252019
Dependency of solvation effects on metal identity in surface reactions
M Zare, M Saleheen, SK Kundu, A Heyden
Communications Chemistry 3 (1), 187, 2020
172020
Liquid-Phase Effects on Adsorption Processes in Heterogeneous Catalysis
M Zare, MS Saleheen, N Singh, MJ Uline, M Faheem, A Heyden
JACS Au 2 (9), 2119-2134, 2022
162022
Theoretical Investigation of Solvent Effects on the Hydrodeoxygenation of Propionic Acid over a Ni (111) Catalyst Model
M Zare, RV Solomon, W Yang, A Yonge, A Heyden
The Journal of Physical Chemistry C 124 (30), 16488-16500, 2020
112020
Conformations of polyolefins on platinum catalysts control product distribution in plastics recycling
M Zare, PA Kots, S Caratzoulas, DG Vlachos
Chemical Science 14 (8), 1966-1977, 2023
92023
Aqueous-phase effects on ethanol decomposition over Ru-based catalysts
M Zare, M Saleheen, O Mamun, A Heyden
Catalysis Science & Technology 11 (20), 6695-6707, 2021
32021
Effect of reaction media on hydrogenolysis of polyethylene plastic waste: Polymer-surface interactions in small alkane/polymer blends
M Zare, PA Kots, ZR Hinton, TH Epps, LSTJ Korley, S Caratzoulas, ...
Applied Catalysis B: Environment and Energy 351, 123969, 2024
2024
Solvent Effect Modeling in Heterogenous Catalysis
M Zare
University of South Carolina, 2021
2021
APPENDIX B SUPPORTING INFORMATION FOR DEPENDENCY OF SOLVATION EFFECTS IN METAL IDENTITY IN SURFACE REACTIONS
M Zare, M Saleheen, SK Kundu, A Heyden
SOLVENT EFFECT MODELING IN HETEROGENOUS CATALYSIS, 142, 2021
2021
APPENDIX C SUPPORTING INFORMATION FOR LIQUID PHASE EFFECTS ON ADSORPTION PROCESSES IN HETEROGENEOUS CATALYSIS
M Zare, M Saleheen, N Singh, MJ Uline, M Faheem, A Heyden
SOLVENT EFFECT MODELING IN HETEROGENOUS CATALYSIS, 156, 2021
2021
APPENDIX A SUPPORTING INFORMATION FOR THEORETICAL INVESTIGATION OF SOLVENT EFFECTS ON THE HYDRODEOXYGENATION OF PROPIONIC ACID OVER A NI (111) CATALYST MODEL
M Zare, RV Solomon, W Yang, A Yonge, A Heyden
SOLVENT EFFECT MODELING IN HETEROGENOUS CATALYSIS 100 (124), 121, 2021
2021
Solvent Effect in the Hydrodeoxygenation of Propionic Acid over a Ni (111) Catalyst Model
M Zare, A Heyden
2019 North American Catalysis Society Meeting, 2019
2019
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