Emilio Martínez-Núñez (Emilio Martinez-Nuñez, Emilio Martinez-Nunez, E Martínez-Núñez, James J P Stewart, Emilio Martínez Núñez)

ResearcherID Scopus Author ID Loop profile ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 25

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. A

Chemphyschem : a European journal of chemical physics and physical chemistry

ACS physical chemistry Au

Universidade de Santiago de Compostela

Universidade de Santiago de Compostela (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universidade de Santiago de Compostela

Spain

Profesor titular :: Química Física

Education History

Universidade de Santiago de Compostela

Spain

PHD :: Química Física

Publications

Daniel González, André Canosa, Emilio Martínez-Núñez, Antonio Fernandez-Ramos, Bernabé Ballesteros, Marcelino Agúndez, Jose Cernicharo, Elena Jiménez
Effect of temperature on the gas-phase reaction of CH 3 CN with OH radicals: experimental ( T = 11.7-177.5 K) and computational ( T = 10-400 K) kinetic study. Physical chemistry chemical physics : PCCP (2024)
Ramón L Panadés-Barrueta, Denis Duflot, Juan Soto, Emilio Martínez-Núñez, Daniel Peláez
Automatic Determination of the Non-Covalent Stable Conformations of the NO 2 -Pyrene Cluster in Full Dimensionality (81D) Using the vdW-TSSCDS Approach. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Marta Castiñeira Reis, Emilio Martínez-Núñez, Antonio Fernandez-Ramos
Comprehensive computational automated search of barrierless reactions leading to the formation of benzene and other C 6 -membered rings. Science advances 10 (37) (2024)
Ramón L Panadés-Barrueta, Denis Duflot, Juan Soto, Emilio Martínez-Núñez, Daniel Peláez
Automatic Determination of the Non-Covalent Stable Conformations of the NO 2 -Pyrene Cluster in Full Dimensionality (81D) Using the vdW-TSSCDS Approach. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (10) (2024)
Daniel González, André Canosa, Emilio Martínez-Núñez, Antonio Fernandez-Ramos, Bernabé Ballesteros, Marcelino Agúndez, Jose Cernicharo, Elena Jiménez
Effect of temperature on the gas-phase reaction of CH 3 CN with OH radicals: experimental ( T = 11.7-177.5 K) and computational ( T = 10-400 K) kinetic study. Physical chemistry chemical physics : PCCP 26 (4) (2024)
Luis Guerrero-Méndez, Anxo Lema-Saavedra, Elena Jiménez, Antonio Fernandez-Ramos, Emilio Martínez-Núñez
Gas-phase formation of glycolonitrile in the interstellar medium. Physical chemistry chemical physics : PCCP (2023)
Xabier García-Andrade, Pablo García Tahoces, Jesús Pérez-Ríos, Emilio Martínez-Núñez
Barrier Height Prediction by Machine Learning Correction of Semiempirical Calculations. The journal of physical chemistry. A 127 (10) (2023)
Xabier García-Andrade, Pablo García Tahoces, Jesús Pérez-Ríos, Emilio Martínez-Núñez
Barrier Height Prediction by Machine Learning Correction of Semiempirical Calculations. The journal of physical chemistry. A (2023)
Bernardo Ballotta, Emilio Martínez-Núñez, Sergio Rampino, Vincenzo Barone
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. Physical chemistry chemical physics : PCCP (2023)
Diego Garay-Ruiz, Moises Álvarez-Moreno, Carles Bo, Emilio Martínez-Núñez
New Tools for Taming Complex Reaction Networks: The Unimolecular Decomposition of Indole Revisited. ACS physical chemistry Au 2 (3) (2022)
Daniel González, Anxo Lema-Saavedra, Sara Espinosa, Emilio Martínez-Núñez, Antonio Fernandez-Ramos, André Canosa, Bernabé Ballesteros, Elena Jiménez
Reaction of OH radicals with CH 3 NH 2 in the gas phase: experimental (11.7-177.5 K) and computed rate coefficients (10-1000 K). Physical chemistry chemical physics : PCCP 24 (38) (2022)
Diego Garay-Ruiz, Moises Álvarez-Moreno, Carles Bo, Emilio Martínez-Núñez
New Tools for Taming Complex Reaction Networks: The Unimolecular Decomposition of Indole Revisited. ACS physical chemistry Au 2 (3) (2022)
Sergio Pérez-Tabero, Berta Fernández, Enrique M Cabaleiro-Lago, Emilio Martínez-Núñez, Saulo A Vázquez
New Approach for Correcting Noncovalent Interactions in Semiempirical Quantum Mechanical Methods: The Importance of Multiple-Orientation Sampling. Journal of chemical theory and computation 17 (9) (2021)
Emilio Martínez-Núñez, George L Barnes, David R Glowacki, Sabine Kopec, Daniel Peláez, Aurelio Rodríguez, Roberto Rodríguez-Fernández, Robin J Shannon, James J P Stewart, Pablo G Tahoces, Saulo A Vazquez
AutoMeKin2021: An open-source program for automated reaction discovery. Journal of computational chemistry 42 (28) (2021)
Robin J Shannon, Emilio Martínez-Núñez, Dmitrii V Shalashilin, David R Glowacki
ChemDyME: Kinetically Steered, Automated Mechanism Generation through Combined Molecular Dynamics and Master Equation Calculations. Journal of chemical theory and computation 17 (8) (2021)
Eduardo Carrascosa, James N Bull, Emilio Martínez-Núñez, Michael S Scholz, Jack T Buntine, Evan J Bieske
Photoisomerization of Linear and Stacked Isomers of a Charged Styryl Dye: A Tandem Ion Mobility Study. Journal of the American Society for Mass Spectrometry 32 (12) (2021)
Marta L Murillo-Sánchez, Jesús González-Vázquez, María E Corrales, Rebeca de Nalda, Emilio Martínez-Núñez, Alberto García-Vela, Luis Bañares
Femtochemistry under scrutiny: Clocking state-resolved channels in the photodissociation of CH3I in the A-band. The Journal of chemical physics 152 (1) (2020)
Aurelio Rodríguez, Roberto Rodríguez-Fernández, Saulo A Vázquez, George L Barnes, Emilio Martínez-Núñez, Emilio Martínez-Núñez
tsscds2018: A code for automated discovery of chemical reaction mechanisms and solving the kinetics. Journal of computational chemistry 39 (23) (2019)
Veronica Macaluso, Debora Scuderi, Maria Elisa Crestoni, Simonetta Fornarini, Davide Corinti, Enzo Dalloz, Emilio Martínez-Núñez, William L Hase, Riccardo Spezia
l-Cysteine Modified by S-Sulfation: Consequence on Fragmentation Processes Elucidated by Tandem Mass Spectrometry and Chemical Dynamics Simulations. The journal of physical chemistry. A 123 (17) (2019)
David Ferro-Costas, Emilio Martínez-Núñez, Jesús Rodríguez-Otero, Enrique M Cabaleiro-Lago, Carlos M Estévez, Berta Fernández, Antonio Fernandez-Ramos, Saulo A Vázquez
Influence of Multiple Conformations and Paths on Rate Constants and Product Branching Ratios. Thermal Decomposition of 1-Propanol Radicals. The journal of physical chemistry. A 122 (21) (2018)
Saulo A Vázquez, Xose L Otero, Emilio Martínez-Núñez
A Trajectory-Based Method to Explore Reaction Mechanisms. Molecules (Basel, Switzerland) 23 (12) (2018)
W Siebrand, Z Smedarchina, D Ferro-Costas, Emilio Martínez-Núñez, Antonio Fernandez-Ramos
Reply to the 'Comment on "Methanol dimer formation drastically enhances hydrogen abstraction from methanol by OH at low temperature"' by D. Heard, R. Shannon, J. Gomez Martin, R. Caravan, M. Blitz, J. Plane, M. Antiñolo, M. Agundez, E. Jimenez, B. Ballesteros, A. Canosa, G. El Dib, J. Albaladejo and J. Cernicharo, Phys. Chem. Chem. Phys., 2018, 20, DOI: 10.1039/C7CP04561A. Physical chemistry chemical physics : PCCP 20 (12) (2018)
Joaquin Espinosa-Garcia, Emilio Martínez-Núñez, Cipriano Rangel
Quasi-Classical Trajectory Dynamics Study of the Cl(2P) + C2H6 → HCl(v,j) + C2H5 Reaction. Comparison with Experiment. The journal of physical chemistry. A 122 (10) (2018)
Maria Jose Romero-Castro, Vanesa Suárez, Sandra Fernández-Fariña, Marcelino Maneiro, Emilio Martínez-Núñez, Guillermo Zaragoza, Ana M González-Noya, Rosa Pedrido
Effect of the Metal Ion on the Enantioselectivity and Linkage Isomerization of Thiosemicarbazone Helicates. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (20) (2017)
Jesús A Varela, Saulo A Vázquez, Emilio Martínez-Núñez
An automated method to find reaction mechanisms and solve the kinetics in organometallic catalysis. Chemical science 8 (5) (2017)

Emilio Martínez-Núñez.css-eqlu8i{font-size:small;padding-left:4px;} (Emilio Martinez-Nuñez, Emilio Martinez-Nunez, E Martínez-Núñez, James J P Stewart, Emilio Martínez Núñez)

Publication Activity (10 Years)

Top Topics

Top Venues

Emilio Martínez-Núñez (Emilio Martinez-Nuñez, Emilio Martinez-Nunez, E Martínez-Núñez, James J P Stewart, Emilio Martínez Núñez)