| Simulations of interfacial processes: recent advances in force field development S Dasetty, PJ Meza-Morales, RB Getman, S Sarupria Current Opinion in Chemical Engineering 23, 138 - 145, 2019 | 19 | 2019 |
| Identification of the Active Sites in the Dehydrogenation of Methanol on Pt/Al2O3 Catalysts T Xie, BJ Hare, PJ Meza-Morales, C Sievers, RB Getman The Journal of Physical Chemistry C 124 (35), 19015-19023, 2020 | 18 | 2020 |
| Carbon dioxide storage and sustained delivery by Cu2 (pzdc) 2L [L= dipyridyl-based ligand] pillared-layer porous coordination networks OJ García-Ricard, P Meza-Morales, JC Silva-Martínez, MC Curet-Arana, ... Microporous and mesoporous materials 177, 54-58, 2013 | 17 | 2013 |
| Active sites and effects of co-adsorbed H2O on isolated methanol dehydrogenation over Pt/γ-Al2O3 BJ Hare, RAG Carcamo, T Xie, PJ Meza-Morales, RB Getman, C Sievers Journal of Catalysis 402, 218-228, 2021 | 15 | 2021 |
| CO2 Adsorption-Induced Structural Changes in Coordination Polymer Ligands Elucidated via Molecular Simulations and Experiments MCCA Paul J Meza Morales, Diego A. Gomez-Gualdron, Rodinson R Arrieta-Perez ... Dalton Trans. 45 (43), 17168-17178, 2016 | 14 | 2016 |
| DFT analysis of coordination polymer ligands: unraveling the electrostatic properties and their effect on CO2 interaction PJ Meza-Morales, A Santana-Vargas, MC Curet-Arana Adsorption 21 (6), 533-546, 2015 | 10 | 2015 |
| Quantum Chemical Determination of Stable Intermediates on CO2 Adsorption Onto Metal(Salen) Complexes MC Curet-Arana, P Meza, R Irizarry, R Soler Topics in Catalysis 55 (5), 260-266, 2012 | 6 | 2012 |
| Role of Molecular Simulations in the Design of Metal–Organic Frameworks for Gas-Phase Thermocatalysis: A Perspective H Shabbir, SP Vicchio, P Meza-Morales, RB Getman The Journal of Physical Chemistry C 126 (14), 6111-6118, 2022 | 3 | 2022 |
| Computational Exploration of Magnetic Saturation and Anisotropy Energy for Nonstoichiometric Ferrite Compositions VR Punyapu, J Zhu, P Meza-Morales, A Chaluvadi, OT Mefford, ... arXiv preprint arXiv:2309.09754, 2023 | | 2023 |
| Computational Exploration of Magnetic Saturation and Anisotropy Energy for Nonstoichiometric Ferrite Compositions V Rohit Punyapu, J Zhu, P Meza-Morales, A Chaluvadi, ... arXiv e-prints, arXiv: 2309.09754, 2023 | | 2023 |
| Adsorption Rates and Free Energies Calculations of Methanol-Pt (111) Under Liquid Solvent: Development and Assessment of an Interfacial Force Field P Meza-Morales, R Getman 2021 AIChE Annual Meeting, 2021 | | 2021 |
| New Developments in Computational Catalysis I: Method Accuracy and Kinetic Modeling C Paolucci, P Meza-Morales, E Walker 2021 AIChE Annual Meeting, 2021 | | 2021 |
| Intelligent Design of Substituted Ferrite Materials for Magnetically Modulated Energy Delivery Applications: Density Functional Theory and Machine Learning Study P Meza-Morales, A Chaluvadi, J Zhu, O Mefford, RB Getman 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
| Free Energies Calculations of Methanol-Pt (111) Under Liquid Solvent: Development and Assessment of an Interfacial Force Field P Meza-Morales, RB Getman 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
| Computational-Accelerate Guided Design and Discovery of Novel Water Treatment Material P Meza-Morales 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
| Thermal CO2 Upgrading I Nezam, P Meza-Morales 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
| Identification of the Active Sites in the Dehydrogenation of Methanol on Pt/Al₂O₃ Catalysts T Xie, BJ Hare, PJ Meza-Morales, C Sievers, RB Getman | | 2020 |
| Computational-Accelerated Materials Design for Negative Emission Technologies P Meza-Morales 2019 AIChE Annual Meeting, 2019 | | 2019 |
| CO2 Adsorption in Nickel Based Metal Organic Framework Ni-DABCO: A Density Functional Theory and Grand Canonical Monte Carlo Study OAM Flores, P Meza-Morales, M Curet-Arana 2018 AIChE Annual Meeting, 2018 | | 2018 |
Sapna SarupriaAssociate Professor, Department of Chemistry, University of Minnesota Twin Cities在 umn.edu 的电子邮件经过验证
