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Otilia Mo
Otilia Mo
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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
4391992
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
2112001
Beryllium bonds, do they exist?
M Yanez, P Sanz, O Mo, I Alkorta, J Elguero
Journal of chemical theory and computation 5 (10), 2763-2771, 2009
1712009
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
1582007
Study of the methanol trimer potential energy surface
O Mó, M Yanez, J Elguero
The Journal of chemical physics 107 (9), 3592-3601, 1997
1511997
High level ab initio and density functional theory studies on methanol–water dimers and cyclic methanol (water) 2 trimer
L González, O Mó, M Yáñez
The Journal of chemical physics 109 (1), 139-150, 1998
1451998
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
1372004
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
1362002
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 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
1321997
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
1261999
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
1221998
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
1152005
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
1141997
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
1032000
Ab initio study of the structural, energetic, bonding, and IR spectroscopic properties of complexes with dihydrogen bonds
I Alkorta, J Elguero, O Mo, M Yáñez, JE Del Bene
The Journal of Physical Chemistry A 106 (40), 9325-9330, 2002
1022002
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
1011986
Characterization of intramolecular hydrogen bonds and competitive chalcogen–chalcogen interactions on the basis of the topology of the charge density
P Sanz, O Mó, M Yáñez
Physical Chemistry Chemical Physics 5 (14), 2942-2947, 2003
992003
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
981995
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
941996
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