Departamento
Departamento de Química Física
Publicaciones (52) Publicaciones en las que ha participado algún/a investigador/a
2004
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(Vapour + liquid) equilibrium of binary mixtures (1,3-dioxolane or 1,4-dioxane + 2-methyl-1-propanol or 2-methyl-2-propanol) at isobaric conditions
Journal of Chemical Thermodynamics, Vol. 36, Núm. 2, pp. 87-93
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A Comparison of the Electrophilic Reactivities of Zn2+ and Acetic Acid as Catalysts of Enolization: Imperatives for Enzymatic Catalysis of Proton Transfer at Carbon
Journal of the American Chemical Society, Vol. 126, Núm. 16, pp. 5164-5173
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A DFT Study of the Boulton-Katritzky rearrangement of (5r)-4-nitrosobenz[c] isoxazole and its anion: Pseudopericyclic reactions with aromatic transition states
Journal of Organic Chemistry, Vol. 69, Núm. 21, pp. 7013-7017
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Ab initio and DFT study of the influence of the allene group on the Diels-Alder reaction
Structural Chemistry, Vol. 15, Núm. 4, pp. 323-326
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Ab initio and DFT study of the reaction mechanism of diformylketene with formamide
Journal of Physical Chemistry A, Vol. 108, Núm. 40, pp. 8373-8377
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Accurate intermolecular ground state potential of the Ar-N2 van der Waals complex
Journal of Chemical Physics, Vol. 121, Núm. 21, pp. 10419-10425
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Accurate intermolecular ground state potential of the Ne-HCl van der Waals complex
Journal of Chemical Physics, Vol. 121, Núm. 10, pp. 4599-4604
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Accurate intermolecular ground state potential of the Ne-N2 van der Waals complex
Journal of Chemical Physics, Vol. 120, Núm. 19, pp. 9104-9112
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Basic hydrolysis of crystal violet in β-cyclodextrin/surfactant mixed systems
Langmuir, Vol. 20, Núm. 3, pp. 606-613
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Calculation of the tunneling splitting in the zero-point level and CO-stretch fundamental of the formic acid dimer
Chemical Physics Letters, Vol. 395, Núm. 4-6, pp. 339-345
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Caracterización de acidos fúlvicos y ácidos húmicos extraídos de una turbera minerotrófica
Edafología, Vol. 11, Núm. 3, pp. 329-339
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Catalytic and inhibitory effects of β-cyclodextrin on the hydrolysis of benzoic anhydride
Journal of Physical Organic Chemistry, Vol. 17, Núm. 5, pp. 370-375
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Complexation of methyl orange with β-cyclodextrin: Detailed analysis and application to quantification of polymer-bound cyclodextrin
Supramolecular Chemistry, Vol. 16, Núm. 8, pp. 549-559
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Complexes of dichloro[2-(dimethylaminomethyl)phenyl-C1,N] gold(III), [Au(damp-C1,N)Cl2], with formylferrocene thiosemicarbazones: Synthesis, structure and cytotoxicity
Journal of Inorganic Biochemistry, Vol. 98, Núm. 6, pp. 1009-1016
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Computational study of the dissociation of oxalic acid in water clusters
Chemical Physics, Vol. 302, Núm. 1-3, pp. 53-60
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Computational study of the interaction in (CH3)2X dimer and trimer (X = O, S)
Journal of Physical Chemistry A, Vol. 108, Núm. 22, pp. 4923-4929
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Coupled cluster calculations of the ground state potential and interaction induced electric properties of the mixed dimers of helium, neon and argon
Molecular Physics, Vol. 102, Núm. 1, pp. 101-110
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Crystal structure of the supramolecular linear polymer formed by the self-assembly of mono-6-deoxy-6-adamantylamide-β-cyclodextrin
Acta Crystallographica Section B: Structural Science, Vol. 60, Núm. 2, pp. 204-210
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Cu2+-Soil Fulvic Acid Binding: Effect of pH and Concentration
Environmental Engineering Science, Vol. 21, Núm. 2, pp. 195-201
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Cyclodextrin effect on solvolysis of substituted benzoyl chlorides
Organic and Biomolecular Chemistry, Vol. 2, Núm. 8, pp. 1186-1193