A Trajectory-Based Method to Explore Reaction Mechanisms

por Vázquez, Saulo A., Otero, Xose L., Martinez-Nunez, Emilio
Publicado 2018

Specific Reaction Parameter Multigrid POTFIT (SRP-MGPF): Automatic Generation of Sum-of-Products Form Potential Energy Surfaces for Quantum Dynamical Calculations

por Panadés-Barrueta, Ramón L., Martínez-Núñez, Emilio, Peláez, Daniel
Publicado 2019

Editorial: Application of Optimization Algorithms in Chemistry

por Marques, Jorge M. C., Martínez-Núñez, Emilio, Hase, William L.
Publicado 2020

New Tools for Taming Complex Reaction Networks: The Unimolecular Decomposition of Indole Revisited

por Garay-Ruiz, Diego, Álvarez-Moreno, Moises, Bo, Carles, Martínez-Núñez, Emilio
Publicado 2022

New Approach for Correcting Noncovalent Interactions in Semiempirical Quantum Mechanical Methods: The Importance of Multiple-Orientation Sampling

por Pérez-Tabero, Sergio, Fernández, Berta, Cabaleiro-Lago, Enrique M., Martínez-Núñez, Emilio, Vázquez, Saulo A.
Publicado 2021

Photoisomerization of Linear and Stacked Isomers of a Charged Styryl Dye: A Tandem Ion Mobility Study

por Carrascosa, Eduardo, Bull, James N., Martínez-Núñez, Emilio, Scholz, Michael S., Buntine, Jack T., Bieske, Evan J.
Publicado 2021

Recent applications of boxed molecular dynamics: a simple multiscale technique for atomistic simulations

por Booth, Jonathan, Vazquez, Saulo, Martinez-Nunez, Emilio, Marks, Alison, Rodgers, Jeff, Glowacki, David R., Shalashilin, Dmitrii V.
Publicado 2014