| Kinetic modeling study of surrogate components for gasoline, jet and diesel fuels: C7-C11 methylated aromatics G Kukkadapu, D Kang, SW Wagnon, K Zhang, M Mehl, ... Proceedings of the Combustion Institute 37 (1), 521-529, 2019 | 82 | 2019 |
| Machine learning to predict standard enthalpy of formation of hydrocarbons KK Yalamanchi, VCO Van Oudenhoven, F Tutino, M Monge-Palacios, ... The Journal of Physical Chemistry A 123 (38), 8305-8313, 2019 | 55 | 2019 |
| Efficient alkane oxidation under combustion engine and atmospheric conditions Z Wang, M Ehn, MP Rissanen, O Garmash, L Quéléver, L Xing, ... Communications chemistry 4 (1), 18, 2021 | 46 | 2021 |
| Constructing potential energy surfaces for polyatomic systems: Recent progress and new problems J Espinosa-Garcia, M Monge-Palacios, JC Corchado Advances in physical chemistry 2012 (1), 164752, 2012 | 32 | 2012 |
| Identifying collisions of various molecularities in molecular dynamics simulations H Rafatijo, M Monge-Palacios, DL Thompson The Journal of Physical Chemistry A 123 (6), 1131-1139, 2019 | 31 | 2019 |
| Ab initio based potential energy surface and kinetics study of the OH+ NH3 hydrogen abstraction reaction M Monge-Palacios, C Rangel, J Espinosa-Garcia The Journal of Chemical Physics 138 (8), 2013 | 31 | 2013 |
| Ab initio and transition state theory study of the OH+ HO 2→ H 2 O+ O 2 (3 Σ g−)/O 2 (1 Δ g) reactions: yield and role of O 2 (1 Δ g) in H 2 O 2 decomposition and in … M Monge-Palacios, SM Sarathy Physical Chemistry Chemical Physics 20 (6), 4478-4489, 2018 | 28 | 2018 |
| Probing the gas-phase oxidation of ammonia: Addressing uncertainties with theoretical calculations JEC Cañas, M Monge-Palacios, X Zhang, SM Sarathy Combustion and Flame 235, 111708, 2022 | 27 | 2022 |
| Data science approach to estimate enthalpy of formation of cyclic hydrocarbons KK Yalamanchi, M Monge-Palacios, VCO van Oudenhoven, X Gao, ... The Journal of Physical Chemistry A 124 (31), 6270-6276, 2020 | 27 | 2020 |
| Theoretical kinetic study of the formic acid catalyzed Criegee intermediate isomerization: multistructural anharmonicity and atmospheric implications M Monge-Palacios, MP Rissanen, Z Wang, SM Sarathy Physical Chemistry Chemical Physics 20 (16), 10806-10814, 2018 | 23 | 2018 |
| Theoretical Kinetic Study of the Unimolecular Keto–Enol Tautomerism Propen-2-ol ↔ Acetone. Pressure Effects and Implications in the Pyrolysis of tert- and 2 … E Grajales-González, M Monge-Palacios, SM Sarathy The Journal of Physical Chemistry A 122 (14), 3547-3555, 2018 | 22 | 2018 |
| On the role of the termolecular reactions 2O 2+ H 2→ 2HO 2 and 2O 2+ H 2→ H+ HO 2+ O 2 in formation of the first radicals in hydrogen combustion: ab initio predictions of … M Monge-Palacios, H Rafatijo Physical Chemistry Chemical Physics 19 (3), 2175-2185, 2017 | 22 | 2017 |
| The rate constant for radiative association of HF: Comparing quantum and classical dynamics M Gustafsson, M Monge-Palacios, G Nyman The Journal of Chemical Physics 140 (18), 2014 | 20 | 2014 |
| Dynamics study of the OH+ NH3 hydrogen abstraction reaction using QCT calculations based on an analytical potential energy surface M Monge-Palacios, JC Corchado, J Espinosa-Garcia The Journal of Chemical Physics 138 (21), 2013 | 19 | 2013 |
| Reaction-Path Dynamics Calculations of the Cl + NH3 Hydrogen Abstraction Reaction: The Role of the Intermediate Complexes M Monge-Palacios, J Espinosa-Garcia The Journal of Physical Chemistry A 114 (12), 4418-4426, 2010 | 19 | 2010 |
| Oxidation kinetics of n-pentanol: A theoretical study of the reactivity of the 1‑hydroxy‑1-peroxypentyl radical Y Duan, M Monge-Palacios, E Grajales-Gonzalez, D Han, KH Møller, ... Combustion and Flame 219, 20-32, 2020 | 18 | 2020 |
| Analytical potential energy surface for the reaction with intermediate complexes NH3+ Cl→ NH2+ HCl: application to the kinetics study M MONGE‐PALACIOS, C Rangel, JC Corchado, J Espinosa‐GarcÍA International Journal of Quantum Chemistry 112 (8), 1887-1903, 2012 | 18 | 2012 |
| Role of Vibrational and Translational Energy in the OH + NH3 Reaction: A Quasi-Classical Trajectory Study M Monge-Palacios, J Espinosa-Garcia The Journal of Physical Chemistry A 117 (24), 5042-5051, 2013 | 17 | 2013 |
| QCT and QM Calculations of the Cl (2 P)+ NH 3 Reaction: Influence of the Reactant Well on the Dynamics M Monge-Palacios, M Yang, J Espinosa-Garcia Physical Chemistry Chemical Physics 14 (14), 4824-4834, 2012 | 16 | 2012 |
| Ab Initio, Transition State Theory, and Kinetic Modeling Study of the HO2-Assisted Keto–Enol Tautomerism Propen-2-ol + HO2 ⇔ Acetone + HO2 under … M Monge-Palacios, E Grajales-González, SM Sarathy The Journal of Physical Chemistry A 122 (51), 9792-9805, 2018 | 15 | 2018 |
S. Mani SarathyKing Abdullah University of Science and Technology在 kaust.edu.sa 的电子邮件经过验证
