Manuel Yañez
Manuel Yañez
Universidad Autónoma de Madrid
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TítuloCitado porAño
Cooperative (nonpairwise) effects in water trimers: An ab initio molecular orbital study
O Mó, M Yáñez, J Elguero
The Journal of chemical physics 97 (9), 6628-6638, 1992
3931992
Computational chemistry: A useful (sometimes mandatory) tool in mass spectrometry studies
M Alcamí, O Mó, M Yáñez
Mass spectrometry reviews 20 (4), 195-245, 2001
1912001
Study of the methanol trimer potential energy surface
O Mó, M Yanez, J Elguero
The Journal of chemical physics 107 (9), 3592-3601, 1997
1441997
Cooperative effects in the cyclic trimer of methanol. An ab initio molecular orbital study
O Mó, M Yánez, J Elguero
Journal of Molecular Structure: THEOCHEM 314 (1-2), 73-81, 1994
1351994
High level ab initio and density functional theory studies on methanol–water dimers and cyclic trimer
L González, O Mó, M Yáñez
The Journal of chemical physics 109 (1), 139-150, 1998
1281998
Cooperative effects in water trimers. The performance of density functional approaches
L González, O Mó, M Yáñez, J Elguero
Journal of Molecular Structure: THEOCHEM 371, 1-10, 1996
1101996
Density functional theory study on ethanol dimers and cyclic ethanol trimers
L González, O Mó, M Yáñez
The Journal of chemical physics 111 (9), 3855-3861, 1999
1091999
Do coupling constants and chemical shifts provide evidence for the existence of resonance-assisted hydrogen bonds?
I Alkorta, J Elguero, O Mó, M Yáñez*, JE Del Bene
Molecular Physics 102 (23-24), 2563-2574, 2004
1082004
High‐level ab initio versus DFT calculations on (H2O2) 2 and H2O2–H2O complexes as prototypes of multiple hydrogen bond systems
L González, O Mó, M Yáñez
Journal of computational chemistry 18 (9), 1124-1135, 1997
1081997
Cu+ binding energies. Dramatic failure of the G2 method vs. good performance of the B3LYP approach
A Luna, M Alcamı, O Mó, M Yanez
Chemical Physics Letters 320 (1-2), 129-138, 2000
1042000
Competition between X⊙⊙⊙ H⊙⊙⊙ Y Intramolecular Hydrogen Bonds and X⊙⊙⊙⊙ Y (X= O, S, and Y= Se, Te) Chalcogen− Chalcogen Interactions
P Sanz, M Yáñez, O Mó
The Journal of Physical Chemistry A 106 (18), 4661-4668, 2002
1012002
Very strong hydrogen bonds in neutral molecules: the phosphinic acid dimers
L González, O Mó, M Yáñez, J Elguero
The Journal of chemical physics 109 (7), 2685-2693, 1998
1011998
The geometry of pyrazole: A test for ab initio calculations
AL Llamas‐Saiz, C Foces‐Foces, O Mó, M Yáñez, E Elguero, J Elguero
Journal of computational chemistry 16 (3), 263-272, 1995
1001995
Beryllium bonds, do they exist?
M Yáñez, P Sanz, O Mó, I Alkorta, J Elguero
Journal of chemical theory and computation 5 (10), 2763-2771, 2009
992009
Resonance-assisted hydrogen bonds: A critical examination. structure and stability of the enols of β-diketones and β-enaminones
P Sanz, O Mo, M Yanez, J Elguero
The Journal of Physical Chemistry A 111 (18), 3585-3591, 2007
982007
High-level ab initio calculations on the intramolecular hydrogen bond in thiomalonaldehyde
L González, O Mó, M Yáñez
The Journal of Physical Chemistry A 101 (50), 9710-9719, 1997
951997
Protonation energies and tautomerism of azoles. Basis set effects
O Mo, JLG De Paz, M Yanez
The Journal of Physical Chemistry 90 (22), 5597-5604, 1986
951986
Ab initio study of the structural, energetic, bonding, and IR spectroscopic properties of complexes with dihydrogen bonds
I Alkorta, J Elguero, O Mó, M Yáñez, JE Del Bene
The Journal of Physical Chemistry A 106 (40), 9325-9330, 2002
922002
Modeling the Interactions between Peptide Functions and Cu(I): Formamide−Cu+ Reactions in the Gas Phase
A Luna, B Amekraz, J Tortajada, JP Morizur, M Alcamí, O Mó, M Yanez
Journal of the American Chemical Society 120 (22), 5411-5426, 1998
811998
Are resonance-assisted hydrogen bonds ‘resonance assisted’? A theoretical NMR study
I Alkorta, J Elguero, O Mó, M Yáñez, JE Del Bene
Chemical physics letters 411 (4-6), 411-415, 2005
772005
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Artículos 1–20