E Grajales-González

5PUBLICATIONS
4CO-AUTHORS
Chemical and thermal processes in energy and combustionCatalysis and mechanisms of reactionsTheoretical quantum chemistryChemical thermodynamics and energetics
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Publications (5)

|Oct 15, 2025
Methanol-to-hydrocarbon initiation reactions over a zeolite catalyst: reactive molecular dynamics simulations.

E Grajales-González, Adri C T van Duin, S Mani Sarathy

|Apr 09, 2021
Early Chemistry of Nicotine Degradation in Heat-Not-Burn Smoking Devices and Conventional Cigarettes: Implications for Users and Second- and Third-Hand Smokers.

Javier E Chavarrio Cañas, M Monge-Palacios, E Grajales-González

|Jul 15, 2020
Collision Efficiency Parameter Influence on Pressure-Dependent Rate Constant Calculations Using the SS-QRRK Theory.

E Grajales-González, M Monge-Palacios, S Mani Sarathy

|Dec 01, 2018
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.

M Monge-Palacios, E Grajales-González, S Mani Sarathy

|Mar 22, 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-Butanol.

E Grajales-González, M Monge-Palacios, S Mani Sarathy

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Frequent Collaborators

5 joint publications

S Mani Sarathy

4 joint publications

M Monge-Palacios

1 joint publications

Javier E Chavarrio Cañas

1 joint publications

Adri C T van Duin