James J P Stewart

22PUBLICATIONS
41CO-AUTHORS
Nonlinear optics and spectroscopyTheoretical quantum chemistryComputational chemistryChemical thermodynamics and energeticsReaction engineering (excl. nuclear reactions)
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Publications (22)

|Apr 29, 2026
Rotational spectrum of laser-ablated mannitol: a conformational and photofragmentation study.

|Sep 22, 2025
Computational insights into the chemical reaction networks of C3H6O3, C3H7O3 and C2H5O2: implications for the interstellar medium.

Anxo Lema-Saavedra, Antonio Fernández-Ramos, Emilio Martínez-Núñez

|Sep 11, 2024
Comprehensive computational automated search of barrierless reactions leading to the formation of benzene and other C6-membered rings.

Marta Castiñeira Reis, Emilio Martínez Núñez, Antonio Fernández Ramos

|Apr 25, 2024
Automatic Determination of the Non-Covalent Stable Conformations of the NO2-Pyrene Cluster in Full Dimensionality (81D) Using the vdW-TSSCDS Approach.

Ramón L Panadés-Barrueta, Denis Duflot, Juan Soto

|Jan 15, 2024
Effect of temperature on the gas-phase reaction of CH3CN with OH radicals: experimental (T = 11.7-177.5 K) and computational (T = 10-400 K) kinetic study.

Daniel González, André Canosa, Emilio Martínez-Núñez

|Aug 16, 2023
New prebiotic molecules in the interstellar medium from the reaction between vinyl alcohol and CN radicals: unsupervised reaction mechanism discovery, accurate electronic structure calculations and kinetic simulations.

Bernardo Ballotta, Emilio Martínez-Núñez, Sergio Rampino

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Frequent Collaborators

8 joint publications

Antonio Fernández-Ramos

4 joint publications

Saulo A Vázquez

3 joint publications

Elena Jiménez

2 joint publications

André Canosa