Gabriel Merino

15 papers Journal 15

Year	Rank	Type	Title / Venue / Authors
2023	J	`jnl`	Dismantlement of ammonia upon interaction with Be J. Comput. Chem. Manuel Yáñez, Filiberto Ortíz-Chi, Gabriel Merino, Ibon Alkorta
2023	J	`jnl`	The quest for a bidirectional auxetic, elastic, and enhanced fracture toughness material: Revisiting the mechanical properties of the BeH J. Comput. Chem. Armando A. Morin-Martinez, Jessica Arcudia, Ximena Zarate, Miguel Eduardo Cifuentes-Quintal, Gabriel Merino
2020	J	`jnl`	Prediction of Natural Product Classes Using Machine Learning and 13C NMR Spectroscopic Data. J. Chem. Inf. Model. Saúl H. Martínez-Treviño, Víctor Uc-Cetina, María A. Fernández-Herrera, Gabriel Merino
2018	J	`jnl`	B, N-Codoped graphene as catalyst for the oxygen reduction reaction: Insights from periodic and cluster DFT calculations. J. Comput. Chem. Chiara Ricca, Frédéric Labat, Claudia Zavala, Nino Russo, Carlo Adamo, Gabriel Merino, Emilia Sicilia
2018	J	`jnl`	TS Remote. Sens. Mario Lillo-Saavedra, Angel García-Pedrero, Gabriel Merino, Consuelo Gonzalo-Martín
2016	J	`jnl`	Structure and stability of noble gas bound EX3+ compounds (E = C, Ge, Sn, Pb; X = H, F, Cl, Br). J. Comput. Chem. Sudip Pan, Diego Moreno, Sreyan Ghosh, Pratim Kumar Chattaraj, Gabriel Merino
2016	J	`jnl`	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. Manas Ghara, Sudip Pan, Anand Kumar, Gabriel Merino, Pratim Kumar Chattaraj
2015	J	`jnl`	A coupled-cluster study on the noble gas binding ability of metal cyanides versus metal halides (metal = Cu, Ag, Au). J. Comput. Chem. Sudip Pan, Ashutosh Gupta, Ranajit Saha, Gabriel Merino, Pratim Kumar Chattaraj
2015	J	`jnl`	A hierarchical algorithm for molecular similarity (H-FORMS). J. Comput. Chem. Alonso Ramirez-Manzanares, Joaquín Peña, Jon M. Azpiroz, Gabriel Merino
2014	J	`jnl`	Structural evolution of small gold clusters doped by one and two boron atoms. J. Comput. Chem. Rafael Grande-Aztatzi, Paulina R. Martínez-Alanis, José Luis Cabellos, Edison Osorio, Ana Martínez, Gabriel Merino
2013	J	`jnl`	Bonding analysis of planar hypercoordinate atoms via the generalized BLW-LOL. J. Comput. Chem. Laetitia Bomble, Stephan N. Steinmann, Nancy Perez-Peralta, Gabriel Merino, Clémence Corminboeuf
2010	J	`jnl`	Bonding, aromaticity, and structure of trigonal dianion metal clusters. J. Comput. Chem. Santanab Giri, Debesh Ranjan Roy, Soma Duley, Arindam Chakraborty, Ramakrishnan Parthasarathi, Munusamy Elango, Ramadoss Vijayaraj, Venkatesan Subramanian, Rafael Islas, Gabriel Merino, Pratim Kumar Chattaraj
2009	J	`jnl`	An efficient grid-based scheme to compute QTAIM atomic properties without explicit calculation of zero-flux surfaces. J. Comput. Chem. Juan I. Rodríguez, Andreas M. Köster, Paul W. Ayers, Ana Santos-Valle, Alberto Vela, Gabriel Merino
2007	J	`jnl`	Recent advances in planar tetracoordinate carbon chemistry. J. Comput. Chem. Gabriel Merino, Miguel A. Méndez-Rojas, Alberto Vela, Thomas Heine
2007	J	`jnl`	sigma and pi contributions to the induced magnetic field: Indicators for the mobility of electrons in molecules. J. Comput. Chem. Thomas Heine, Rafael Islas, Gabriel Merino