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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
closedAccess | | 1-oct-2004 | 2- and 3-furancarboxylic acids: a comparative study using calorimetry, IR spectroscopy and X-ray crystallography | Roux, María Victoria CSIC ; Temprado, Manuel CSIC ORCID; Jiménez Sierra, M. Pilar CSIC ; Foces-Foces, Concepción CSIC; Garcı́a, Marı́a Victoria; Redondo, Marı́a Isabel | artículo |
closedAccess | | jun-2003 | A compact and lipophilic enantiomer showing a bilayer crystal structure - Free energy of spontaneous resolution of the racemic compound into the crystalline enantiomers | Roux, María Victoria CSIC ; Jiménez Sierra, M. Pilar CSIC ; Vacas, Araceli CSIC; Cano, Félix H.; Apreda-Rojas, María del Carmen; Ros Cebriá, Francisco CSIC ORCID | artículo |
closedAccess | | 17-jul-2006 | Ab initio and experimental thermodynamic and kinetic study of proton-assisted bond activation in gaseous hydrocarbons: Deconvolution of reaction efficiencies in the case of adamantane | Dávalos, J.Z. CSIC ORCID ; Herrero, Rebeca CSIC; Quintanilla, Esther CSIC; Jiménez Sierra, M. Pilar CSIC ; Gal, Jean-François; Maria, Pierre-Charles; Abboud, José Luis M. CSIC | artículo |
closedAccess | | 1-oct-1994 | Acidity and basicity of indazole and its N-methyl derivatives in the ground and in the excited state | Catalán, Javier; Valle, Juan C. del; Claramunt, Rosa M.; Boyer, Gérard; Laynez, J.; Gómez, Javier; Jiménez Sierra, M. Pilar CSIC ; Tomás, Francisco; Elguero, José CSIC ORCID | artículo |
closedAccess | | 12-feb-2007 | Activation of the disulfide bond and chalcogen-chalcogen interactions: An experimental (FTICR) and computational study | Esseffar, M.; Herrero, Rebeca CSIC; Quintanilla, Esther CSIC; Dávalos, J.Z. CSIC ORCID ; Jiménez Sierra, M. Pilar CSIC ; Abboud, José Luis M. CSIC; Yáñez, Manuel; Mó, Otilia CSIC ORCID | artículo |
closedAccess | | 10-jul-2001 | Calorimetric and computational study of 1,3,5-trithiane | Roux, María Victoria CSIC ; Jiménez Sierra, M. Pilar CSIC ; Dávalos, J.Z. CSIC ORCID ; Notario, Rafael CSIC ORCID; Juaristi, E. | artículo |
closedAccess | | 17-ene-2007 | Calorimetric and computational study of 1,3-and 1,4-oxathiane sulfones | Roux, María Victoria CSIC ; Temprado, Manuel CSIC ORCID; Jiménez Sierra, M. Pilar CSIC ; Notario, Rafael CSIC ORCID; Guzmán-Mejía, R.; Juaristi, E. | artículo |
closedAccess | | 28-ene-2004 | Calorimetric and Computational Study of 1,3-Dithiacyclohexane 1,1-Dioxide (1,3-Dithiane Sulfone) | Roux, María Victoria CSIC ; Temprado, Manuel CSIC ORCID; Jiménez Sierra, M. Pilar CSIC ; Notario, Rafael CSIC ORCID; Guzmán-Mejía, R.; Juaristi, E. | artículo |
closedAccess | | 3-mar-2006 | Calorimetric and computational study of 1,4-dithiacyclohexane 1,1-dioxide (1,4-dithiane sulfone) | Roux, María Victoria CSIC ; Temprado, Manuel CSIC ORCID; Jiménez Sierra, M. Pilar CSIC ; Notario, Rafael CSIC ORCID; Guzmán-Mejía, R.; Juaristi, E. | artículo |
closedAccess | | 6-ago-2005 | Calorimetric and computational study of 3-buten-1-ol and 3-butyn-1-ol. Estimation of the enthalpies of formation of 1-alkenols and 1-alkynols | Vélez, Ederley; Quijano, Jairo; Gaviria, J.; Roux, María Victoria CSIC ; Jiménez Sierra, M. Pilar CSIC ; Temprado, Manuel CSIC ORCID; Martín-Valcárcel, Gloria CSIC; Pérez-Parajón, Juan; Notario, Rafael CSIC ORCID | artículo |
closedAccess | | 6-feb-2003 | Calorimetric and computational study of thiacyclohexane 1-oxide and thiacyclohexane 1,1-dioxide (thiane sulfoxide and thiane sulfone). Enthalpies of formation and the energy of the S=O bond | Roux, María Victoria CSIC ; Temprado, Manuel CSIC ORCID; Jiménez Sierra, M. Pilar CSIC ; Zenón Dávalos, Juan; Notario, Rafael CSIC ORCID; Guzmán-Mejía, R.; Juaristi, E. | artículo |
closedAccess | | 3-dic-1999 | Calorimetric, computational (G2(MP2) and G3) and conceptual study of the energetics of the isomeric 1,3- and 1,4-dithianes | Dávalos, J.Z. CSIC ORCID ; Flores, H.; Jiménez Sierra, M. Pilar CSIC ; Notario, Rafael CSIC ORCID; Roux, María Victoria CSIC ; Juaristi, E.; Ramachandra Shastry, M.C.; Liebman, Joel F. | artículo |
closedAccess | | 2010 | Computational thermochemistry of six ureas, imidazolidin-2-one, N, N′-trimethyleneurea, benzimidazolinone, parabanic acid, barbital (5,5′-diethylbarbituric acid), and 3,4,4′-trichlorocarbanilide, with an extension to related compounds | Dávalos, J.Z. CSIC ORCID ; Ribeiro da Silva, M. D. M. C.; Ribeiro da Silva, M. A. V.; Freitas, V.L.S.; Jiménez Sierra, M. Pilar CSIC ; Roux, María Victoria CSIC ; Cabildo, Pilar; Claramunt, Rosa M.; Elguero, José CSIC ORCID | artículo |
closedAccess | | 4-jun-2005 | Cubane, cuneane, and their carboxylates: A calorimetric, crystallographic, calculational, and conceptual coinvestigation | Roux, María Victoria CSIC ; Dávalos, J.Z. CSIC ORCID ; Jiménez Sierra, M. Pilar CSIC ; Notario, Rafael CSIC ORCID; Castaño, Obis; Chickos, James S.; Hanshaw, William; Zhao, Hui; Rath, Nigam; Liebman, Joel F. | artículo |
closedAccess | | may-2003 | Destabilization in the isomeric nitrobenzonitriles: An experimental thermochemical study | Roux, María Victoria CSIC ; Jiménez Sierra, M. Pilar CSIC ; Dávalos, J.Z. CSIC ORCID ; Temprado, Manuel CSIC ORCID; Liebman, Joel F. | artículo |
closedAccess | | 2-sep-2009 | Discovery of specific flavodoxin inhibitors as potential therapeutic agents against Helicobacter pylori infection | Cremades, Nunilo; Velázquez-Campoy, Adrián; Martínez-Júlvez, Marta; Neira, José L. CSIC ORCID; Pérez-Dorado, Inmaculada CSIC ORCID; Hermoso, Juan A. CSIC ORCID; Jiménez Sierra, M. Pilar CSIC ; Lanas, Ángel; Hoffman, Paul S.; Sancho, Javier CSIC ORCID | artículo |
closedAccess | | 19-oct-2002 | Effect of pressure on the polymorphic forms of famotidine | Roux, María Victoria CSIC ; Dávalos, J.Z. CSIC ORCID ; Jiménez Sierra, M. Pilar CSIC | artículo |
closedAccess | | 1-jun-1991 | Effect of the replacement of a methyl by a trifluoromethyl group on the acid-base properties of pyrazoles | Elguero, José CSIC ORCID; Yranzo, Gloria; Laynez, J.; Jiménez Sierra, M. Pilar CSIC ; Menéndez, Margarita CSIC ORCID; Catalán, Javier; De Paz, José Luis; Anvia, Frederick; Taft, Robert W. | artículo |
closedAccess | | 2010 | Energetic studies of urea derivatives: Standard molar enthalpy of formation of 3,4,4′-trichlorocarbanilide | Ribeiro da Silva, M. D. M. C.; Ribeiro da Silva, M. A. V.; Freitas, V.L.S.; Roux, María Victoria CSIC ; Jiménez Sierra, M. Pilar CSIC ; Dávalos, J.Z. CSIC ORCID ; Cabildo, P.; Claramunt, Rosa M.; Pinilla, Elena; Rosario Torres, M.; Elguero, José CSIC ORCID | artículo |
closedAccess | | 8-feb-2012 | Energetics and structural properties, in the gas phase, of trans -hydroxycinnamic acids | Dávalos, J.Z. CSIC ORCID ; Herrero, Rebeca CSIC; Chana López, Antonio CSIC; Guerrero, Andrés CSIC; Jiménez Sierra, M. Pilar CSIC ; Santiuste, J. M. CSIC | artículo |