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Manuel Yáñez
ORCID
Publication Activity (10 Years)
Years Active: 1995-2024
Publications (10 Years): 5
Top Topics
Standard Deviation
Grid Cells
Scales Linearly
Clustering Scheme
Top Venues
J. Comput. Chem.
Comput.
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Publications
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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) (2024)
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) (2024)
Manuel Yáñez
,
Filiberto Ortíz-Chi
,
Gabriel Merino
,
Ibon Alkorta
≤ 10) clusters.
J. Comput. Chem.
44 (3) (2023)
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) (2022)
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) (2015)
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) (2013)
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) (2009)
Manuel Alcamí
,
Otilia Mó
,
Manuel Yáñez
G2 ab initio calculations on three-membered rings: Role of hydrogen atoms.
J. Comput. Chem.
19 (9) (1998)
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) (1997)
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) (1995)