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List of works by Manuel Monge-Palacios

Ab Initio, Transition State Theory, and Kinetic Modeling Study of the HO2-Assisted Keto-Enol Tautomerism Propen-2-ol + HO2 ⇔ Acetone + HO2 under Combustion, Atmospheric, and Interstellar Conditions

scientific article published on 13 December 2018

Ab initio and transition state theory study of the OH + HO2 → H2O + O2(3Σg-)/O2(1Δg) reactions: yield and role of O2(1Δg) in H2O2 decomposition and in combustion of H2.

scientific article published on 26 January 2018

Identifying Collisions of Various Molecularities in Molecular Dynamics Simulations

scientific article published on 05 February 2019

Kinetics of the benzyl + HO2 and benzoxyl + OH barrierless association reactions: fate of the benzyl hydroperoxide adduct under combustion and atmospheric conditions

scientific article published on 15 April 2020

Machine Learning To Predict Standard Enthalpy of Formation of Hydrocarbons

scientific article published on 16 September 2019

On the role of the termolecular reactions 2O2 + H2 → 2HO2 and 2O2 + H2 → H + HO2 + O2 in formation of the first radicals in hydrogen combustion: ab initio predictions of energy barriers

scientific article published on 3 January 2017

Theoretical Kinetic Study of the Unimolecular Keto-Enol Tautomerism Propen-2-ol ↔ Acetone. Pressure Effects and Implications in the Pyrolysis of tert- and 2-Butanol.

scientific article published on 28 March 2018

Theoretical kinetic study of the formic acid catalyzed Criegee intermediate isomerization: multistructural anharmonicity and atmospheric implications

scientific article published on 7 February 2018

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