Departamento
Química Física
Publicacións (72) Publicacións nas que participase algún/ha investigador/a
2005
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A DFT study of the concerted cyclisation of 3-azidopropenal to isoxazole: Is it a pseudopericyclic reaction according to its magnetic properties?
European Journal of Organic Chemistry, pp. 3228-3232
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A DFT study of the pericyclic/pseudopericyclic character of cycloaddition reactions of ethylene and formaldehyde to buta-1,3-dien-1-one and derivatives
Journal of Physical Chemistry A, Vol. 109, Núm. 25, pp. 5636-5644
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A density functional theory study on the electrocyclization of 1,2,4,6-heptatetraene analogues: Converting a pericyclic to a pseudopericyclic reaction
Chemistry - A European Journal, Vol. 11, Núm. 20, pp. 5966-5974
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A theoretical study of the SiCNH isomers
Chemical Physics, Vol. 313, Núm. 1-3, pp. 1-15
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A theoretical study of the excited electronic states of the SiCN system
Chemical Physics, Vol. 310, Núm. 1-3, pp. 303-310
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Accurately solving the electronic Schrödinger equation of small atoms and molecules using explicitly correlated (r 12 -)MR-CI. VIII. Valence excited states of methylene (CH 2)
Journal of Chemical Physics, Vol. 123, Núm. 14
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Aligning Au nanorods by using carbon nanotubes as templates
Angewandte Chemie - International Edition, Vol. 44, Núm. 28, pp. 4375-4378
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Alignment of carbon nanotubes under low magnetic fields through attachment of magnetic nanoparticles
Journal of Physical Chemistry B, Vol. 109, Núm. 41, pp. 19060-19063
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Aminolysis reactions by glycine in AOT-based water-in-oil microemulsions
Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 270-271, Núm. 1-3, pp. 115-123
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Aminólisis de p-nitrofenil acetato por morfolina en microemulsiones W/O
Coloides e interfases (Ediciones Universidad de Salamanca), pp. 461-464
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Are electrocyclization reactions of (3Z)-1,3,5-hexatrienone and nitrogen derivatives pseudopericyclic? A DFT study
Journal of Organic Chemistry, Vol. 70, Núm. 10, pp. 3921-3928
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Asymmetric functional colloids through selective hemisphere modification
Advanced Materials, Vol. 17, Núm. 16, pp. 2014-2018
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Behavior of gramicidin A-ethyl nonadecanoate mixed Langmuir monolayers spread at the air-water interface
Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 270-271, Núm. 1-3, pp. 171-175
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Charge density analysis of some processes involving intramolecular hydrogen transfer
Tetrahedron, Vol. 61, Núm. 4, pp. 819-829
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Charging/discharging of Au (core)/silica (shell) nanoparticles as revealed by XPS
Journal of Physical Chemistry B, Vol. 109, Núm. 50, pp. 24182-24184
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Conductivity of sodium bis(2-ethylhexyl)sulfosuccinate + isooctane + water microemulsions containing phase-transfer catalysts. 3
Journal of Chemical and Engineering Data, Vol. 50, Núm. 2, pp. 529-535
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Dediazoniation in SDS/BuOH/H2O reverse micelles: Structural parameters, kinetics, and mechanism of the reaction
Langmuir, Vol. 21, Núm. 7, pp. 2675-2681
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Denitrosation of N-nitrososulfonamide as chemical probe for determination of binding constants to cyclodextrins
Supramolecular Chemistry, Vol. 17, Núm. 8, pp. 649-653
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Design and synthesis of novel 20-epi analogues of calcitriol with restricted side chain conformation
Synlett, pp. 2163-2166
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Dielectric media based on isolated metallic nanostructures
Journal of Applied Physics, Vol. 98, Núm. 3