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Derechos | Preview | Fecha Public. | Título | Autor(es) | Tipo |
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 |
closedAccess | | 2003 | The energetics of naphthalene derivatives. II. The isomeric 1- and 2-naphthyl acetates | Verevkin, Sergey P.; Roux, María Victoria CSIC ; Notario, Rafael CSIC ORCID; Demasters, Douglas E.; Liebman, Joel F. | artículo |
closedAccess | | 2003 | The energetics of the isomeric 1- and 2-napthoic acids: Context, quantum chemical calculations and thermochemical measurements | Chickos, James S.; Hillesheim, Dorothea M.; Verevkin, Sergey P.; Roux, María Victoria CSIC ; Temprado, Manuel CSIC ORCID; Segura, Marta; Notario, Rafael CSIC ORCID; Demasters, Douglas E.; Liebman, Joel F. | artículo |
closedAccess | | 2004 | The energetics of the isomeric anthrols | Notario, Rafael CSIC ORCID; Roux, María Victoria CSIC ; Liebman, Joel F. | artículo |
closedAccess | | nov-2012 | The enthalpy of formation of methionine revisited | Roux, María Victoria CSIC ; Notario, Rafael CSIC ORCID; Segura, Marta; Chickos, James S.; Liebman, Joel F. | artículo |
closedAccess | | 2014 | The enthalpy of formation of selenocysteine: A G3 and G4 quantum chemical study | Notario, Rafael CSIC ORCID; Chickos, James S.; Liebman, Joel F. | artículo |
closedAccess | | 7-feb-2011 | The joining of measurement and prediction: The enthalpy of formation of 1,4-cubanedicarboxylic acid | Roux, María Victoria CSIC ; Martín-Valcárcel, Gloria CSIC; Notario, Rafael CSIC ORCID; Kini, Sandeep; Chickos, James S.; Liebman, Joel F. | artículo |
closedAccess | | feb-2000 | The plausible aromaticity of 1,8-naphthalimides: The enthalpy of formation of N-methyl-1,8-naphthalimide | Roux, María Victoria CSIC ; Jiménez Sierra, M. Pilar CSIC ; Dávalos, J.Z. CSIC ORCID ; Martín-Luengo, María Ángeles CSIC ORCID ; Rotello, Vincent M.; Cuello, Alejandro O.; Liebman, Joel F. | artículo |
closedAccess | | 2003 | The Strain Energy of Perchlorocyclopropane is Small: It Might even be Negative. A Density Functional Theory Study of Perhalocycloalkanes | Mahavadi, Madhavi; Zeiger, Diana N.; Naqib, Dahlia; Roux, María Victoria CSIC ; Notario, Rafael CSIC ORCID; Liebman, Joel F. | artículo |
openAccess | | 26-sep-2018 | Thermochemical and structural studies of gallic and ellagic acids | Dávalos, J.Z. CSIC ORCID ; Lima, C.F.R.A.C.; Santos, L.M.N.B.F.; Romero, V.L.; Liebman, Joel F. | artículo |
closedAccess | | 2005 | Thermochemical study of arenecarboxylic acids | Roux, María Victoria CSIC ; Jiménez Sierra, M. Pilar CSIC ; Notario, Rafael CSIC ORCID; Temprado, Manuel CSIC ORCID; Martín-Valcárcel, Gloria CSIC; Liebman, Joel F. | artículo |
closedAccess | | 2011 | Thermochemistry and quantum chemical calculations of two dibenzocycloalkane nitriles | Perişanu, Ştefan; Contineanu, Iulia; Neacşu, Ana; Notario, Rafael CSIC ORCID; Roux, María Victoria CSIC ; Liebman, Joel F.; Dodson, Bryan J. | artículo |