HAYDEE
VALDES GONZALEZ
Chercheuse dans le période 2013-2015
Publications (11) Publications de HAYDEE VALDES GONZALEZ
2019
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Water adsorption and dissociation on gold catalysts supported on anatase-TiO2(101)
Applied Surface Science, Vol. 487, pp. 244-252
2015
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Chemoselective Intramolecular Functionalization of Methyl Groups in Nonconstrained Molecules Promoted by N-Iodosulfonamides
Organic Letters, Vol. 17, Núm. 10, pp. 2370-2373
2013
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Unraveling the molecular structure of the catalytic domain of matrix metalloproteinase-2 in complex with a triple-helical peptide by means of molecular dynamics simulations
Biochemistry, Vol. 52, Núm. 47, pp. 8556-8569
2011
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Ab initio benchmark calculations on Ca(II) complexes and assessment of density functional theory methodologies
Journal of Physical Chemistry A, Vol. 115, Núm. 41, pp. 11331-11343
2009
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Polyisocyanides of titanium
Journal of Physical Chemistry A, Vol. 113, Núm. 8, pp. 1574-1577
2008
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Monoligand Zn(II) complexes: Ab initio benchmark calculations and comparison with density functional theory methodologies
Journal of Chemical Theory and Computation, Vol. 4, Núm. 2, pp. 243-256
2007
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A theoretical study of the [FeCN]+ system: Cyanide-isocyanide competition and isomerization barrier
Chemical Physics Letters, Vol. 445, Núm. 1-3, pp. 22-27
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Cyanides and isocyanides of first-row transition metals: Molecular structure, bonding, and isomerization barriers
Journal of Physical Chemistry A, Vol. 111, Núm. 28, pp. 6334-6344
2001
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High-level ab initio predictions of CO2···N2O structure
International Journal of Quantum Chemistry
2000
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The tetrahydropyranHCl dimer: A theoretical study
Chemical Physics Letters, Vol. 320, Núm. 5-6, pp. 507-512
1999
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On the violation of Legon-Millen's rules for predicting angular geometries of hydrogen-bonded dimers: An ab initio study
Chemical Physics Letters, Vol. 309, Núm. 3-4, pp. 265-273