E-LIB Suche - Ergebnisse für: Martínez Núñez, Emilio

1

Barrier Height Prediction by Machine Learning Correction of..:

García-Andrade, Xabier ; García Tahoces, Pablo ; Pérez-Ríos, Jesús.
The Journal of Physical Chemistry A. 127 (2023) 10 - p. 2274-2283 , 2023

Link: https://doi.org/10.1021/..

2

A Direct Classical Trajectory Study of HCl Elimination from..:

Núñez, Emilio Martínez ; Fernández-Ramos, Antonio ; Vázquez, Saulo A...
The Journal of Physical Chemistry A. 107 (2003) 38 - p. 7611-7618 , 2003

Link: https://doi.org/10.1021/..

3

Effect of temperature on the gas-phase reaction of CH3CN wi..:

González, Daniel ; Canosa, André ; Martínez-Núñez, Emilio...
Physical Chemistry Chemical Physics. 26 (2024) 4 - p. 3632-3646 , 2024

Link: https://doi.org/10.1039/..

4

Toward the Detection of Cyanoketene in the Interstellar Med..:

Ballotta, Bernardo ; Marforio, Tainah D. ; Rampino, Sergio...
ACS Earth and Space Chemistry. 7 (2023) 5 - p. 1172-1180 , 2023

Link: https://doi.org/10.1021/..

5

New prebiotic molecules in the interstellar medium from the..:

Ballotta, Bernardo ; Martínez-Núñez, Emilio ; Rampino, Sergio.
Physical Chemistry Chemical Physics. 25 (2023) 34 - p. 22840-22850 , 2023

Link: https://doi.org/10.1039/..

6

Exploring unimolecular reactions in disilanol and ethanol: ..:

Vázquez, Saulo A. ; Martínez-Núñez, Emilio ; Preston, Thomas J.
Theoretical Chemistry Accounts. 142 (2023) 12 - p. , 2023

Link: https://doi.org/10.1007/..

7

C60+C60 molecular bonding revisited and expanded:

Laranjeira, Jorge ; Strutyński, Karol ; Marques, Leonel..
Carbon. 213 (2023) - p. 118209 , 2023

Link: https://doi.org/10.1016/..

8

Gas-phase formation of glycolonitrile in the interstellar m..:

Guerrero-Méndez, Luis ; Lema-Saavedra, Anxo ; Jiménez, Elena..
Physical Chemistry Chemical Physics. 25 (2023) 31 - p. 20988-20996 , 2023

Link: https://doi.org/10.1039/..

9

Competition between Abstraction and Addition Channels for t..:

Ballotta, Bernardo ; Martínez-Núñez, Emilio ; Rampino, Sergio.
ACS Earth and Space Chemistry. 7 (2023) 7 - p. 1467-1477 , 2023

Link: https://doi.org/10.1021/..

10

Reaction of OH radicals with CH3NH2 in the gas phase: exper..:

González, Daniel ; Lema-Saavedra, Anxo ; Espinosa, Sara...
Physical Chemistry Chemical Physics. 24 (2022) 38 - p. 23593-23601 , 2022

Link: https://doi.org/10.1039/..

11

New Tools for Taming Complex Reaction Networks: The Unimole..:

Garay-Ruiz, Diego ; Álvarez-Moreno, Moises ; Bo, Carles.
ACS Physical Chemistry Au. 2 (2022) 3 - p. 225-236 , 2022

Link: https://doi.org/10.1021/..

12

Reaction of OH radicals with CH3NH2 in the gas phase: exper..:

González Pérez de Madrid, Daniel ; Lema Saavedra, Anxo ; Espinosa Gómez, Sara...
doi:10.1039/x0xx00000x. , 2022

Link: http://hdl.handle.net/10..

13

ChemDyME: Kinetically Steered, Automated Mechanism Generati..:

Shannon, Robin J. ; Martínez-Núñez, Emilio ; Shalashilin, Dmitrii V..
Journal of Chemical Theory and Computation. 17 (2021) 8 - p. 4901-4912 , 2021

Link: https://doi.org/10.1021/..

14

Photoisomerization of Linear and Stacked Isomers of a Charg..:

Carrascosa, Eduardo ; Bull, James N. ; Martínez-Núñez, Emilio...
Journal of the American Society for Mass Spectrometry. 32 (2021) 12 - p. 2842-2851 , 2021

Link: https://doi.org/10.1021/..

15

New Approach for Correcting Noncovalent Interactions in Sem..:

Pérez-Tabero, Sergio ; Fernández, Berta ; Cabaleiro-Lago, Enrique M...
Journal of Chemical Theory and Computation. 17 (2021) 9 - p. 5556-5567 , 2021

Link: https://doi.org/10.1021/..