Gabriel Merino
Orcid: 0000-0003-1961-8321
According to our database1,
Gabriel Merino
authored at least 15 papers
between 2007 and 2023.
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Bibliography
2023
Dismantlement of ammonia upon interaction with Be<sub><i>n</i></sub> (<i>n</i> ≤ 10) clusters.
J. Comput. Chem., January, 2023
The quest for a bidirectional auxetic, elastic, and enhanced fracture toughness material: Revisiting the mechanical properties of the BeH<sub>2</sub> monolayers.
J. Comput. Chem., January, 2023
2020
Prediction of Natural Product Classes Using Machine Learning and 13C NMR Spectroscopic Data.
J. Chem. Inf. Model., 2020
2018
Remote. Sens., 2018
B, N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations.
J. Comput. Chem., 2018
2016
Structure and stability of noble gas bound EX3+ compounds (E = C, Ge, Sn, Pb; X = H, F, Cl, Br).
J. Comput. Chem., 2016
Structure, stability, and nature of bonding in carbon monoxide bound EX3+ complexes (E = group 14 element; X = H, F, Cl, Br, I).
J. Comput. Chem., 2016
2015
A coupled-cluster study on the noble gas binding ability of metal cyanides versus metal halides (metal = Cu, Ag, Au).
J. Comput. Chem., 2015
2014
J. Comput. Chem., 2014
2013
J. Comput. Chem., 2013
2010
J. Comput. Chem., 2010
2009
An efficient grid-based scheme to compute QTAIM atomic properties without explicit calculation of zero-flux surfaces.
J. Comput. Chem., 2009
2007
sigma and pi contributions to the induced magnetic field: Indicators for the mobility of electrons in molecules.
J. Comput. Chem., 2007