Álvaro Pérez-Barcia

Publication Activity (10 Years)

Years Active: 2023-2023
Publications (10 Years): 2

Top Topics

Quantum Mechanics

Decomposition Method

Human Decision Making

Statistical Analysis

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Gustavo Cárdenas, Jesús Lucia-Tamudo, Henar Mateo-delaFuente, Vito F. Palmisano, Nuria Anguita-Ortiz, Lorena Ruano, Álvaro Pérez-Barcia, Sergio Díaz-Tendero, Marcos Mandado, Juan J. Nogueira
MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations. J. Comput. Chem. 44 (4) (2023)
Álvaro Pérez-Barcia, Gustavo Cárdenas, Juan J. Nogueira, Marcos Mandado
Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis. J. Chem. Inf. Model. 63 (3) (2023)