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Gustavo Cárdenas
Publication Activity (10 Years)
Years Active: 2022-2023
Publications (10 Years): 3
Top Topics
Quantum Mechanics
Alternative Approaches
Decision Theory
Preprocessing
Top Venues
J. Chem. Inf. Model.
J. Comput. Chem.
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Publications
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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)
Jesús Lucia-Tamudo
,
Gustavo Cárdenas
,
Nuria Anguita-Ortiz
,
Sergio Díaz-Tendero
,
Juan J. Nogueira
Computation of Oxidation Potentials of Solvated Nucleobases by Static and Dynamic Multilayer Approaches.
J. Chem. Inf. Model.
62 (14) (2022)