MARÍA TERESA
PICHER URIBES
CATEDRÁTICO/A DE UNIVERSIDAD
Vicent Sixte
Safont Villareal
Publications dans lesquelles il/elle collabore avec Vicent Sixte Safont Villareal (8)
1999
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Theoretical study of the mechanisms for the alkoxyacetic acids decomposition
Journal of Physical Chemistry A, Vol. 103, Núm. 20, pp. 3935-3943
1998
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Comparative theoretical study of transition structures, barrier heights, and reaction energies for the intramolecular tautomerization in acetaldehyde / vinyl alcohol and acetaldimine / vinylamine systems
International Journal of Quantum Chemistry, Vol. 66, Núm. 1, pp. 9-24
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The tandem Diels-Alder reaction between acetylenedicarboxyaldehyde and N,N'-dipyrrolylmethane. An ab initio study of the molecular mechanisms
Journal of Molecular Structure: THEOCHEM, Vol. 426, Núm. 1-3, pp. 257-262
1997
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Ab Initio Study of Stereo- and Regioselectivity in the Diels-Alder Reaction between 2-Phenylcyclopentadiene and α-(Methylthio)acrylonitrile
Journal of Organic Chemistry, Vol. 62, Núm. 6, pp. 1775-1778
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Potential energy surface for the decomposition of mandelic acid
Chemical Physics Letters, Vol. 274, Núm. 5-6, pp. 422-428
1996
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On transition structures for hydride transfer step in enzyme catalysis. A comparative study on models of glutathione reductase derived from semiempirical, HF, and DFT methods
Journal of Organic Chemistry, Vol. 61, Núm. 22, pp. 7777-7783
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On transition structures for hydride transfer step: A theoretical study of the reaction catalyzed by dihydrofolate reductase enzyme
Bioorganic Chemistry, Vol. 24, Núm. 1, pp. 10-18
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Theoretical study of the solvent effects on the mechanisms of addition of dimethyl acetylenedicarboxylate to 1-methyl-2-vinylpyrrole
Tetrahedron, Vol. 52, Núm. 32, pp. 10693-10704