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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
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 | | 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 | | 2014 | Energetic and structural study of bisphenols | Dávalos, J.Z. CSIC ORCID ; Herrero, Rebeca CSIC; Costa, J.C.S.; Santos, L.M.N.B.F.; Liebman, Joel F. | artículo |
closedAccess | | jul-2007 | Energetics of naphthalene derivatives, IV+ : A calorimetric and calculational thermochemical study of the isomeric naphthalenemethanols | Matos, M. Agostinha R.; Morais, V. M. F.; Sousa, C. C. S.; Roux, María Victoria CSIC ; Notario, Rafael CSIC ORCID; Liebman, Joel F. | artículo |
closedAccess | | 28-oct-2010 | Energetics of the lighter chalcogen analogues of carboxylic acid esters | Deakyne, Carol A.; Ludden, Alicia K.; Roux, María Victoria CSIC ; Notario, Rafael CSIC ORCID; Demchenko, Alexei V.; Chickos, James S.; Liebman, Joel F. | artículo |
closedAccess | | 3-nov-1999 | Enthalpies of formation of N-substituted pyrazoles and imidazoles | Mó, Otilia CSIC ORCID; Yáñez, Manuel; Roux, María Victoria CSIC ; Jiménez Sierra, M. Pilar CSIC ; Dávalos, J.Z. CSIC ORCID ; Ribeiro da Silva, Manuel A. V.; Ribeiro da Silva, Maria das Dores M. C.; Matos, M. Agostinha R.; Amaral, L. M. P. F.; Sánchez-Migallón, A.; Cabildo, Pilar; Claramunt, Rosa M.; Elguero, José CSIC ORCID; Liebman, Joel F. | artículo |
closedAccess | | 1998 | Enthalpuies of formation of methyl benzenecarboxylates | Roux, María Victoria CSIC ; Jiménez, Pilar; Dávalos, J.Z. CSIC ORCID ; Turrión, C.; Afeefy, Hussein Y.; Liebman, Joel F. | artículo |
closedAccess | | 2002 | Enthalpy of formation of methyl benzoate: Calorimetry and consequences | Roux, María Victoria CSIC ; Temprado, Manuel CSIC ORCID; Zenón Dávalos, Juan; Jiménez Sierra, M. Pilar CSIC ; Hosmane, Ramachandra S.; Liebman, Joel F. | artículo |
closedAccess | | 2010 | Experimental and theoretical study of the structures and enthalpies of formation of 3 H -1,3-benzoxazole-2-thione, 3 H -1,3-benzothiazole-2-thione, and their tautomers | Roux, María Victoria CSIC ; Temprado, Manuel CSIC ORCID; Jiménez Sierra, M. Pilar CSIC ; Foces-Foces, Concepción CSIC; Notario, Rafael CSIC ORCID; Parameswar, Archana R.; Demchenko, Alexei V.; Chickos, James S.; Deakyne, Carol A.; Liebman, Joel F. | artículo |
closedAccess | | 11-nov-2009 | Experimental and theoretical study of the structures and enthalpies of formation of the synthetic reagents l,3-thiazolidine-2-thione and l,3-oxazolidine-2-thione | Roux, María Victoria CSIC ; Temprado, Manuel CSIC ORCID; Jiménez Sierra, M. Pilar CSIC ; Foces-Foces, Concepción CSIC; Notario, Rafael CSIC ORCID; Parameswar, Archana R.; Demchenko, Alexei V.; Chickos, James S.; Deakyne, Carol A.; Ludden, Alicia K.; Liebman, Joel F. | artículo |
closedAccess | | ene-1995 | Interrelations Of the energetics of amides and alkenes: Enthalpies of formation of N,N‐dimethyl derivatives of pivalamide, 1‐adamantylcarboxamide and benzamide, and of styrene and its α‐, trans‐β‐ and β,β‐methylated derivatives | Abboud, José Luis M. CSIC; Jiménez Sierra, M. Pilar CSIC ; Roux, María Victoria CSIC ; Turrión, C.; López-Mardomingo, Carmen; Podosenin, Andrew; Rogers, Donald W.; Liebman, Joel F. | artículo |
openAccess | | 11-ene-2013 | Isoelectronic and isolobal O, CH2, CH3 + and BH 3 as electron pairs; Similarities between molecular and solid-state chemistry | Vegas, Ángel CSIC; Notario, Rafael CSIC ORCID; Chamorro, Eduardo; Pérez Ramírez, Patricia CSIC ORCID; Liebman, Joel F. | artículo |
closedAccess | | 26-sep-2011 | Knowledge of a molecule: An experimental and theoretical study of the structure and enthalpy of formation of tetrahydro-2 H -1,3-oxazine-2-thione | Roux, María Victoria CSIC ; Temprado, Manuel CSIC ORCID; Jiménez Sierra, M. Pilar CSIC ; Notario, Rafael CSIC ORCID; Parameswar, Archana R.; Demchenko, Alexei V.; Chickos, James S.; Deakyne, Carol A.; Liebman, Joel F. | artículo |
closedAccess | | 2005 | Paradigms and paradoxes: Thoughts on the enthalpy of formation of guanidine and its monosubstituted derivatives | Roux, María Victoria CSIC ; Smith, P. CSIC ORCID; Liebman, Joel F. | artículo |
closedAccess | | 10-nov-2012 | Rediscovering the wheel. Thermochemical analysis of energetics of the aromatic diazines | Verevkin, Sergey P.; Emel'Yanenko, Vladimir N.; Notario, Rafael CSIC ORCID; Roux, María Victoria CSIC ; Chickos, James S.; Liebman, Joel F. | artículo |
closedAccess | | 28-nov-2001 | Strainless reference states for poly- and perfluorocycloalkanes: The ultradiagonal strain energy approach | Roux, María Victoria CSIC ; Notario, Rafael CSIC ORCID; Zeiger, Diana N.; Liebman, Joel F. | artículo |
closedAccess | | 6-abr-2012 | Substituent effects on the thermochemistry of thiophenes. a theoretical (G3(MP2)//B3LYP and G3) study | Notario, Rafael CSIC ORCID; Temprado, Manuel CSIC ORCID; Roux, María Victoria CSIC ; Liebman, Joel F. | artículo |
closedAccess | | 2-may-1997 | The Elusive Antiaromaticity of Maleimides and Maleic Anhydride: Enthalpies of Formation of N-Methylmaleimide, N-Methylsuccinimide, N-Methylphthalimide, and N-Benzoyl-N-methylbenzamide | Roux, María Victoria CSIC ; Jiménez Sierra, M. Pilar CSIC ; Martín-Luengo, María Ángeles CSIC ORCID ; Dávalos, J.Z. CSIC ORCID ; Sun, Zhiyuan; Hosmane, Ramachandra S.; Liebman, Joel F. | artículo |
closedAccess | | 2004 | The energetics of naphthalene derivatives, III: Phenylacetic acid and the isomeric 1- And 2-naphthylacetic acids | Roux, María Victoria CSIC ; Temprado, Manuel CSIC ORCID; Notario, Rafael CSIC ORCID; Verevkin, Sergey P.; Emel'Yanenko, Vladimir N.; Demasters, Douglas E.; Liebman, Joel F. | artículo |