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Browsing by Author Notario, Rafael

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closedAccessaccesoRestringido.pdf.jpg2013A combined experimental and computational thermodynamic study of fluorene-9-methanol and fluorene-9-carboxylic acidOliveira, J.A.S.A.; Calvinho, M.M.; Notario, Rafael ; Monte, M.J.S.; Ribeiro Da Silva, M.D.M.C.artículo
openAccessProcCompSci29_1356.pdf.jpg2014A Computational Study of 2-Selenobarbituric Acid: Conformational Analysis, Enthalpy of Formation, Acidity and Basicity.Notario, Rafael artículo
closedAccessaccesoRestringido.pdf.jpg2016Ab initio quantum-chemical computations of the electronic states in HgBr2 and IBr: Molecules of interest on the Earth’s atmosphereSitkiewicz, S.P.; Oliva, José M. ; Dávalos, J.Z. ; Notario, Rafael ; Saiz-Lopez, A. ; Alcoba, D.R.; Oña, O.B.; Roca-Sanjuán, D.artículo
closedAccessaccesoRestringido.pdf.jpg2016An integral equation and simulation study of hydrogen inclusions in a molecular crystal of short-capped nanotubesLomba, Enrique  ; Bores, Cecilia ; Notario, Rafael ; Sánchez-Gil, V.artículo
closedAccessaccesoRestringido.pdf.jpg2013Computational reexamination of the eclipsed conformation in cis-2-tert-butyl-5-(tert-butylsulfonyl)-1,3-dioxaneJuaristi, E.; Notario, Rafael artículo
closedAccessaccesoRestringido.pdf.jpg2018Computational study of the thermal decomposition and the thermochemistry of allyl ethers and allyl sulfidesAristizabal, L.; Ángel, Mariana; Orozco, Camila; Ruiz, Pablo; Quijano, J.; Notario, Rafael artículo
closedAccessaccesoRestringido.pdf.jpg2016Computational study of the thermal decomposition of 2-methylbutyraldehyde and 2-pentanone through retro-ene reactionsRuiz, P.; Castro, M.; López, S.; Zapata, Á.; Quijano, J.; Notario, Rafael artículo
closedAccessaccesoRestringido.pdf.jpg2018Density Functional Theory Computational Reexamination of the Anomeric Effect in 2-Methoxy- and 2-Cyano-1,3-dioxanes and 1,3-Dithianes. Stereoelectronic Interactions Involving the Cyano (C=N:) Group Revealed by Natural Bond Orbital (NBO) AnalysisJuaristi, E.; Notario, Rafael artículo
openAccessmolecules-18-03356.pdf.jpg14-Mar-2013Diosgenone synthesis, anti-malarial activity and QSAR of analogues of this natural productPabón, Adriana; Escobar, Gustavo; Vargas, Esteban; Cruz, Víctor L. ; Notario, Rafael ; Blair, Silvia; Echeverri, Fernándoartículo
openAccessEffect of temperature.pdf.jpgFeb-2020Effect of temperature on the formation of acrylamide in cocoa beans during drying treatment: An experimental and computational studyGil, M.; Ruiz, Pablo; Quijano, Jairo; Londono-Londono, Julian; Jaramillo, Yamilé; Gallego, V.; Tessier, Frederic; Notario, Rafael artículo
closedAccessaccesoRestringido.pdf.jpg2017Enthalpies of formation of four isoxazole derivatives in the solid and gas phases: application to the study of chemical equilibriaPerdomo, G.; Flores, H.; Notario, Rafael ; Camarillo, E.A.; Amador, M.P.artículo
closedAccessaccesoRestringido.pdf.jpg2014Experimental and computational study of the thermal decomposition of 3-methyl-3-buten-1-ol in m-xylene solutionQuijano, J.; Ruiz, P.; Notario, Rafael ; Zapata, E.; Gaviria, J.artículo
closedAccessaccesoRestringido.pdf.jpg2014Experimental and computational study of the thermodynamic properties of 2-nitrofluorene and 2-aminofluoreneOliveira, J.A.S.A.; Monte, M.J.S.; Notario, Rafael ; Ribeiro da Silva, M. D. M. C.artículo
closedAccessaccesoRestringido.pdf.jpg2014Experimental and computational study on the energetics of N-acetyl-l-cysteineNotario, Rafael ; Roux, María Victoria ; Santos, A.F.L.O.M.; Ribeiro da Silva, M. D. M. C.artículo
closedAccessaccesoRestringido.pdf.jpg2014Experimental and computational thermochemical study of 1,3,5-trimethyl-, 1,5,5-trimethyl-, and 1,3,5,5-tetramethyl-barbituric acidsNotario, Rafael ; Roux, María Victoria ; Ros Cebriá, Francisco ; Emel'Yanenko, Vladimir N.; Verevkin, Sergey P.artículo
closedAccessaccesoRestringido.pdf.jpg22-Aug-2020Experimental and theoretical thermochemical studies of imidazole, imidazole-2-carboxaldehyde and 2-aminobenzimidazoleSalomón-Santiago, C.; Perdomo, G.; Flores-Segura, H.; Notario, Rafael ; Orozco-Guareño, E.artículo
closedAccessaccesoRestringido.pdf.jpg2018Gas-Phase Acidities and Basicities of Alanines and N-Benzylalanines by the Extended Kinetic MethodNotario, Rafael ; Dávalos, J.Z. ; Guzmán-Mejía, R.; Juaristi, E.artículo
closedAccessaccesoRestringido.pdf.jpg2015Gas-phase elimination reaction of ethyl (5-cyanomethyl-1,3,4- thiadiazol-2-yl)carbamate: A computational studyVélez, Ederley; Ruíz, Pablo; Quijano, Jairo; Notario, Rafael artículo
closedAccessaccesoRestringido.pdf.jpg2017Halodiazirines and halodiazo compounds: a computational study of their thermochemistry and isomerization reactionZapata, L.A.; López, S.; Ruiz, P.; Quijano, J.; Notario, Rafael artículo
closedAccessaccesoRestringido.pdf.jpg2016Molecular magnetism in closo -azadodecaborane supericosahedronsAlcoba, D.R.; Oña, O.B.; Massaccesi, G.E.; Torre, A.; Lain, L.; Notario, Rafael ; Oliva, José M. artículo