Theoretical & Computational Chemistry
recent publications
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
González, D. Canosa, A. Martínez-Núñez, E. Fernández-Ramos, A. Ballesteros, B. Agúndez, M. Cernicharo, J. Jiménez, E.
2023
Barrier Height Prediction by Machine Learning Correction of Semiempirical Calculations
García-Andrade, X. García Tahoces, P. Pérez-Ríos, J. Martínez Núñez, E.
2023
C60+C60 molecular bonding revisited and expanded
Laranjeira, J. Strutyński, K. Marques, L. Martínez-Núñez, E. Melle-Franco, M.
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