Emilio Martínez-Núñez

According to our database, Emilio Martínez-Núñez authored at least 5 papers between 1997 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2021

AutoMeKin2021: An open-source program for automated reaction discovery.

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. Vázquez

J. Comput. Chem., 2021

2018

tsscds2018: A code for automated discovery of chemical reaction mechanisms and solving the kinetics.

Aurelio Rodríguez, Roberto Rodríguez-Fernández, Saulo A. Vázquez, George L. Barnes, James J. P. Stewart, Emilio Martínez-Núñez

J. Comput. Chem., 2018

2017

GAFit: A general-purpose, user-friendly program for fitting potential energy surfaces.

Roberto Rodríguez-Fernández, Francisco B. Pereira, Jorge M. C. Marques, Emilio Martínez-Núñez, Saulo A. Vázquez

Comput. Phys. Commun., 2017

2015

An automated method to find transition states using chemical dynamics simulations.

Emilio Martínez-Núñez

J. Comput. Chem., 2015

1997

Conformational analysis of model compounds of vitamin D by theoretical calculations.

Emilio Martínez-Núñez, Saulo A. Vázquez, Ricardo A. Mosquera

J. Comput. Chem., 1997