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Publicaciones
Ventura O, Cubas ML,
A conformational study of the hemimercaptal of methylglyoxal and glutathione
including the study of solvent effects
J Braz Chem Soc, 2-3: 210-216 (1991)
Coitiño L, Ventura O, Sosa R
Comparison of semiempirical methods in the determination of the structure
of hydrogen bonded complexes of NH3 and H2O.
J Mol Struct (Teochem) (1991)
Sosa R, Ventura O, Irving K
Ab initio characterization of possible dissociation pathways
for multiphoton ionization of the water dimer in supersonics free jets
J Mol Struct (Theochem), 86: 315-328 (1992)
Ventura O, Cubas ML
A semi-empirical study of the reaction of the hemimercaptal of methylglyoxal
and glutathione at the active center of Glyoxalase I
Int J Quantum Chem, 44: 699-722 (1992)
Ventura O, Lledos A, Coitiño E, Bertran J,
Analysis of the gas phase addition of water to formaldehyde. A semiempirical
and ab initio study of bifunctional catalysis by H2O
J Comput Chem, 13: 1037-1046 (1992)
Coitiño E, Sosa R, Ventura O
Comprative ab initio and semiempirical study of hydrogen-bonded
complexes of NH3 and H2O
J Mol Struct (Theochem), 86: 453-463 (1992)
Ventura O
Chemical reactivity
In: Structure, Interactions and Reactivity, S. Fraga (Ed.), Elsevier
Pub. Co., pp. 600-636 (1992)
Turi L, Rama J, Dannemberg J, Ventura O
Molecular orbital study of the structures of hydroxamic acids
J Phys Chem, 96: 3709-3714 (1992)
Coitiño E, Lledos A, Serra R, Ventura O
Ab initio study of structure and reactivity of H2CO.H2O+ and related
radical cations
J Am Chem Soc, 115: 9121-9126 (1993)
Ventura O, Rama J, Turi L, Dannemberg J
Acidity of hydroxamic acids: an ab initio and semiempirical study
J Am Chem Soc, 115: 5754 (1993)
Vila F, Ventura O, Varela J, Longo E
An AM1 semiempirical study of the mechanism of sintering for ZnO in
the presence of water and carbon dioxide
J Mol Struct (Theochem), 305: 175-184 (1993)
Pereira A, Coitiño E, Ventura O
Comparative ab initio study of the structure of the H2CO. H20+ and
H2CO.HF+ radical cations
J Mol Struct (Theochem) (1993)
Coitiño E, Ventura O
Isomerization of the formaldehyde radical cation and the failure
of MP2
Chem Phys Lett, 202: 479-482 (1993)
Karwowski J, Bancewicz M, Ventura O
Moments of energy level distributions in vibrational spectra
J Phys A, 20: 5581 (1993)
Sosa R, Gardiol P, Ventura O
Multi-reference Cl calculation of the potential energy curves for
the water monomer and dimer
J Mol Struct (Theochem), 297: 337-345 (1993)
Coitiño E, Tomasi J, Ventura O
On the importance of water in the aldol condensation reactions of
acetaldehyde
J Chem Soc Faraday T (1993)
Pereira A, Coitiño E, Ventura O
Ab initio study of the structure of radical cations derived
from H-bonded complexes: a comparison between [H2CO.H2O]+ and [H2CO.HF]+
J Mol Struct (Teochem), 314: 31 (1994)
Ventura O, Latajka Z, Ratajzack H, Irving K
On the dimerization shift of the OH-stretching fundamentals of the water
dimer
Chem Phys Lett, 217: 436 (1994)
Ventura O, Ferreira E, Gardiol P, Sosa R
Ab initio MP2, MCSCF and MR-SDCI study on the structure of O4 and comparison
with the hypervalent CO3 and SO3 species
J Mol Struct (Theochem) (1995)
Coitiño E, Pereira A, Ventura O
High level ab initio prediction of the structure and IR spectra
of formaldehyde-water radical-cation complexes
J Chem Phys, 102: 2833 (1995)
Ventura O, Rama J, Turi L, Dannenberg J
The gas-phase structure and acidity of formohydroxamic acid and formamide:
a comparative ab initio study
J Phys Chem, 99: 131 (1995)
Ventura O, Kieninger M, Coitiño E
Density functional study of the isomerization of fluoro-and chloroformaldehyde
radical cations
J Comput Chem, 17: 1309 (1996)
Ventura O
Transition states for H-radical reactions: LiFH as a stringent test
case for density functional methods
Mol. Phys., 89: 1851 (1996)
Kremer E, Gancheff J, Kremer C, Mombrú A, Suescun L, González O, Mariezcurrena R, Cubas ML, Ventura O
Structural and conformational analysis of Tc(V) and Re(V) dioxo complexes.
X-ray crystal structure of [TcO2(tn)2].H2O
Polyhedron, 16: 3311-3316 (1997)
Gambino D, Kremer E, Baran EJ, Mombrú A, Suescun L, Mariezcurrena R, Kieninger M,Ventura O
Synthesis, characterization and crystal structure of [ReO(Me4tu)4](PF6)3
Z Anorg Allg Chem, 625: 1-7 (1999)
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Investigadores
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