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Manuel Monge Palacios
Manuel Monge Palacios
Research Scientist, KAUST
Dirección de correo verificada de kaust.edu.sa
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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
802019
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
532019
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
432021
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
322012
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
312019
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
312013
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
272018
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
252022
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
242020
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
232018
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
222017
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
202018
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
202014
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
192013
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
182020
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
182012
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
172013
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
172010
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
162012
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
142018
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