Manuel Yáñez

11 papers Journal 11

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Hydride and halide abstraction reactions behind the enhanced basicity of Be and Mg clusters with nitrogen bases. J. Comput. Chem. Manuel Yáñez, Otilia Mó, M. Merced Montero-Campillo, Ibon Alkorta, José Elguero
2024	J	`jnl`	Discovering trends in the Lewis acidity of beryllium and magnesium hydrides and fluorides with increasing clusters size. J. Comput. Chem. Otilia Mó, M. Merced Montero-Campillo, Manuel Yáñez, Ibon Alkorta, José Elguero
2024	J	`jnl`	Ionization, intrinsic basicity, and intrinsic acidity of unsaturated diols of astrochemical interest: 1,1- and 1,2-ethenediol: A theoretical survey. J. Comput. Chem. Otilia Mó, Al Mokhtar Lamsabhi, Jean-Claude Guillemin, Manuel Yáñez
2023	J	`jnl`	Dismantlement of ammonia upon interaction with Be J. Comput. Chem. Manuel Yáñez, Filiberto Ortíz-Chi, Gabriel Merino, Ibon Alkorta
2022	J	`jnl`	A Theoretical Survey of the UV-Visible Spectra of Axially and Peripherally Substituted Boron Subphthalocyanines. Comput. Al Mokhtar Lamsabhi, M. Merced Montero-Campillo, Otilia Mó, Manuel Yáñez
2015	J	`jnl`	Effects of the ionization in the tautomerism of uracil: A reaction electronic flux perspective. J. Comput. Chem. Al Mokhtar Lamsabhi, Soledad Gutiérrez-Oliva, Otilia Mó, Alejandro Toro-Labbé, Manuel Yáñez
2013	J	`jnl`	Dramatic substituent effects on the mechanisms of nucleophilic attack on Se - S bridges. J. Comput. Chem. Otilia Mó, Al Mokhtar Lamsabhi, Manuel Yáñez, Gavin S. Heverly-Coulson, Russell J. Boyd
2009	J	`jnl`	The mechanism of double proton transfer in dimers of uracil and 2-thiouracil - The reaction force perspective. J. Comput. Chem. Al Mokhtar Lamsabhi, Otilia Mó, Soledad Gutiérrez-Oliva, Patricia Pérez, Alejandro Toro-Labbé, Manuel Yáñez
1998	J	`jnl`	G2 ab initio calculations on three-membered rings: Role of hydrogen atoms. J. Comput. Chem. Manuel Alcamí, Otilia Mó, Manuel Yáñez
1997	J	`jnl`	High-level ab initio versus DFT calculations on (H2O2)2 and H2O2-H2O complexes as prototypes of multiple hydrogen bond systems. J. Comput. Chem. Leticia González, Otilia Mó, Manuel Yáñez
1995	J	`jnl`	Geometry of Pyrazole: A Test for Ab Initio Calculations. J. Comput. Chem. Antonio L. Llamas-Saiz, Concepción Foces-Foces, Otilia Mó, Manuel Yáñez, Eric Elguero, José Elguero