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Journal Articles
- 2025
[j10]Manuel Yáñez
, Otilia Mó, M. Merced Montero-Campillo, Ibon Alkorta, José Elguero:
Hydride and halide abstraction reactions behind the enhanced basicity of Be and Mg clusters with nitrogen bases. J. Comput. Chem. 46(1) (2025)- 2024
- [j9]Otilia Mó, Al Mokhtar Lamsabhi, Jean-Claude Guillemin, Manuel Yáñez:
Ionization, intrinsic basicity, and intrinsic acidity of unsaturated diols of astrochemical interest: 1,1- and 1,2-ethenediol: A theoretical survey. J. Comput. Chem. 45(3): 140-149 (2024) - [j8]Otilia Mó, M. Merced Montero-Campillo, Manuel Yáñez, Ibon Alkorta, José Elguero:
Discovering trends in the Lewis acidity of beryllium and magnesium hydrides and fluorides with increasing clusters size. J. Comput. Chem. 45(20): 1702-1715 (2024) - 2022
- [j7]Al Mokhtar Lamsabhi, M. Merced Montero-Campillo, Otilia Mó, Manuel Yáñez:
A Theoretical Survey of the UV-Visible Spectra of Axially and Peripherally Substituted Boron Subphthalocyanines. Comput. 10(2): 14 (2022) - 2015
- [j6]Al Mokhtar Lamsabhi, Soledad Gutiérrez-Oliva, Otilia Mó, Alejandro Toro-Labbé, Manuel Yáñez:
Effects of the ionization in the tautomerism of uracil: A reaction electronic flux perspective. J. Comput. Chem. 36(28): 2135-2145 (2015) - 2013
- [j5]Otilia Mó, Al Mokhtar Lamsabhi, Manuel Yáñez, Gavin S. Heverly-Coulson, Russell J. Boyd:
Dramatic substituent effects on the mechanisms of nucleophilic attack on Se - S bridges. J. Comput. Chem. 34(29): 2537-2547 (2013) - 2009
- [j4]Al Mokhtar Lamsabhi, Otilia Mó, Soledad Gutiérrez-Oliva, Patricia Pérez, Alejandro Toro-Labbé, Manuel Yáñez:
The mechanism of double proton transfer in dimers of uracil and 2-thiouracil - The reaction force perspective. J. Comput. Chem. 30(3): 389-398 (2009) - 1998
- [j3]Manuel Alcamí, Otilia Mó, Manuel Yáñez:
G2 ab initio calculations on three-membered rings: Role of hydrogen atoms. J. Comput. Chem. 19(9): 1072-1086 (1998) - 1997
- [j2]Leticia González, Otilia Mó, Manuel Yáñez:
High-level ab initio versus DFT calculations on (H2O2)2 and H2O2-H2O complexes as prototypes of multiple hydrogen bond systems. J. Comput. Chem. 18(9): 1124-1135 (1997) - 1995
- [j1]Antonio L. Llamas-Saiz, Concepción Foces-Foces, Otilia Mó, Manuel Yáñez, Eric Elguero, José Elguero:
Geometry of Pyrazole: A Test for Ab Initio Calculations. J. Comput. Chem. 16(3): 163-272 (1995)
Coauthor Index
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