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ORCIDGabriel Merino
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2020 – today
- 2023
[j15]Manuel Yáñez
, Filiberto Ortíz-Chi, Gabriel Merino, Ibon Alkorta:
Dismantlement of ammonia upon interaction with Ben (n ≤ 10) clusters. J. Comput. Chem. 44(3): 159-167 (2023)- [j14]Armando A. Morin-Martinez, Jessica Arcudia, Ximena Zarate, Miguel Eduardo Cifuentes-Quintal, Gabriel Merino:
The quest for a bidirectional auxetic, elastic, and enhanced fracture toughness material: Revisiting the mechanical properties of the BeH2 monolayers. J. Comput. Chem. 44(3): 248-255 (2023) - 2020
- [j13]Saúl H. Martínez-Treviño, Víctor Uc-Cetina, María A. Fernández-Herrera, Gabriel Merino:
Prediction of Natural Product Classes Using Machine Learning and 13C NMR Spectroscopic Data. J. Chem. Inf. Model. 60(7): 3376-3386 (2020)
2010 – 2019
- 2018
- [j12]Chiara Ricca, Frédéric Labat, Claudia Zavala, Nino Russo, Carlo Adamo, Gabriel Merino, Emilia Sicilia:
B, N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations. J. Comput. Chem. 39(11): 637-647 (2018) - [j11]Mario Lillo-Saavedra, Angel García-Pedrero, Gabriel Merino, Consuelo Gonzalo-Martín:
TS2uRF: A New Method for Sharpening Thermal Infrared Satellite Imagery. Remote. Sens. 10(2): 249 (2018) - 2016
- [j10]Sudip Pan, Diego Moreno, Sreyan Ghosh, Pratim Kumar Chattaraj, Gabriel Merino:
Structure and stability of noble gas bound EX3+ compounds (E = C, Ge, Sn, Pb; X = H, F, Cl, Br). J. Comput. Chem. 37(2): 226-236 (2016) - [j9]Manas Ghara, Sudip Pan, Anand Kumar, Gabriel Merino, Pratim Kumar Chattaraj:
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. 37(24): 2202-2211 (2016) - 2015
- [j8]Alonso Ramirez-Manzanares, Joaquín Peña, Jon M. Azpiroz, Gabriel Merino:
A hierarchical algorithm for molecular similarity (H-FORMS). J. Comput. Chem. 36(19): 1456-1466 (2015) - [j7]Sudip Pan, Ashutosh Gupta, Ranajit Saha, Gabriel Merino, Pratim Kumar Chattaraj:
A coupled-cluster study on the noble gas binding ability of metal cyanides versus metal halides (metal = Cu, Ag, Au). J. Comput. Chem. 36(29): 2168-2176 (2015) - 2014
- [j6]Rafael Grande-Aztatzi, Paulina R. Martínez-Alanis, José Luis Cabellos, Edison Osorio, Ana Martínez, Gabriel Merino:
Structural evolution of small gold clusters doped by one and two boron atoms. J. Comput. Chem. 35(32): 2288-2296 (2014) - 2013
- [j5]Laetitia Bomble, Stephan N. Steinmann, Nancy Perez-Peralta, Gabriel Merino, Clémence Corminboeuf:
Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL. J. Comput. Chem. 34(26): 2242-2248 (2013) - 2010
- [j4]Santanab Giri, Debesh Ranjan Roy, Soma Duley, Arindam Chakraborty, Ramakrishnan Parthasarathi, Munusamy Elango, Ramadoss Vijayaraj, Venkatesan Subramanian, Rafael Islas, Gabriel Merino, Pratim Kumar Chattaraj:
Bonding, aromaticity, and structure of trigonal dianion metal clusters. J. Comput. Chem. 31(9): 1815-1821 (2010)
2000 – 2009
- 2009
- [j3]Juan I. Rodríguez, Andreas M. Köster, Paul W. Ayers, Ana Santos-Valle, Alberto Vela, Gabriel Merino:
An efficient grid-based scheme to compute QTAIM atomic properties without explicit calculation of zero-flux surfaces. J. Comput. Chem. 30(7): 1082-1092 (2009) - 2007
- [j2]Thomas Heine, Rafael Islas, Gabriel Merino:
sigma and pi contributions to the induced magnetic field: Indicators for the mobility of electrons in molecules. J. Comput. Chem. 28(1): 302-309 (2007) - [j1]Gabriel Merino, Miguel A. Méndez-Rojas, Alberto Vela, Thomas Heine:
Recent advances in planar tetracoordinate carbon chemistry. J. Comput. Chem. 28(1): 362-372 (2007)
Coauthor Index
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