Emilio Martínez-Núñez

Publication Activity (10 Years)

Years Active: 1997-2021
Publications (10 Years): 4

Top Topics

Surface Fitting

Automated Discovery

Chemical Reaction

User Friendly Interface

Top Venues

J. Comput. Chem.

Comput. Phys. Commun.

Publications

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
AutoMeKin2021: An open-source program for automated reaction discovery. J. Comput. Chem. 42 (28) (2021)
Aurelio Rodríguez, Roberto Rodríguez-Fernández, Saulo A. Vázquez, George L. Barnes, James J. P. Stewart, Emilio Martínez-Núñez
tsscds2018: A code for automated discovery of chemical reaction mechanisms and solving the kinetics. J. Comput. Chem. 39 (23) (2018)
Roberto Rodríguez-Fernández, Francisco B. Pereira, Jorge M. C. Marques, Emilio Martínez-Núñez, Saulo A. Vázquez
GAFit: A general-purpose, user-friendly program for fitting potential energy surfaces. Comput. Phys. Commun. 217 (2017)
Emilio Martínez-Núñez
An automated method to find transition states using chemical dynamics simulations. J. Comput. Chem. 36 (4) (2015)
Emilio Martínez-Núñez, Saulo A. Vázquez, Ricardo A. Mosquera
Conformational analysis of model compounds of vitamin D by theoretical calculations. J. Comput. Chem. 18 (13) (1997)