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Browsing by Author Azofra, Luis Miguel

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closedAccessaccesoRestringido.pdf.jpg2012A theoretical reappraisal of the cyclol hypothesisAlkorta, Ibon ; Sánchez-Sanz, G.; Trujillo, C.; Azofra, Luis Miguel; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2012A theoretical study of hemiacetal formation from the reaction of methanol with derivatives of CX3CHO (X = H, F, Cl, Br and I)Azofra, Luis Miguel; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2012A theoretical study of six-membered rings containing the -N=S-S=N- motifAlkorta, Ibon ; Azofra, Luis Miguel; Sánchez-Sanz, Goar; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2015Ab initio study in the hydration process of metaphosphoric acid: the importance of the pnictogen interactionsAlkorta, Ibon ; Azofra, Luis Miguel; Elguero, José artículo
openAccessTHE JOURNAL OF CHEMICAL PHYSICS 140, 244311 (2014).pdf.jpg2014An exploration of the ozone dimer potential energy surfaceAzofra, Luis Miguel; Alkorta, Ibon ; Scheiner, Stefanartículo
closedAccessaccesoRestringido.pdf.jpg2014Carbohydrates in the gas phase: Conformational preference of D-ribose and 2-deoxy-D-riboseAzofra, Luis Miguel; Quesada-Moreno, María Mar; Alkorta, Ibon ; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2015Chalcogen bonds in complexes of SOXY (X, y = F, Cl) with nitrogen basesAzofra, Luis Miguel; Alkorta, Ibon ; Scheiner, Stefanartículo
closedAccessaccesoRestringido.pdf.jpg2014Chiral discrimination in dimers of diphosphines PH2-PH2 and PH2-PHFAzofra, Luis Miguel; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2014Complexation of n SO2 molecules (n = 1, 2, 3) with formaldehyde and thioformaldehydeAzofra, Luis Miguel; Scheiner, Stefanartículo
closedAccessaccesoRestringido.pdf.jpg2014Complexes containing CO2 and SO2. Mixed dimers, trimers and tetramersAzofra, Luis Miguel; Scheiner, Stefanartículo
closedAccessaccesoRestringido.pdf.jpg2013Conformational preference and chiroptical response of Carbohydrates D-Ribose and 2-Deoxy-D-ribose in aqueous and solid phasesQuesada-Moreno, María Mar; Azofra, Luis Miguel; Avilés-Moreno, Juan Ramón; Alkorta, Ibon ; Elguero, José ; López-González, Juan Jesúsartículo
closedAccessaccesoRestringido.pdf.jpg2012Conformational study of the open-chain and furanose structures of d-erythrose and d-threoseAzofra, Luis Miguel; Alkorta, Ibon ; Elguero, José ; Popelier, Paul L. A.artículo
closedAccessaccesoRestringido.pdf.jpg2012Mechanisms of formation of hemiacetals: Intrinsic reactivity analysisAzofra, Luis Miguel; Alkorta, Ibon ; Elguero, José ; Toro-Labbé, A.artículo
closedAccessaccesoRestringido.pdf.jpg2013Modeling the mechanism of glycosylation reactions between ethanol, 1,2-ethanediol and methoxymethanolAzofra, Luis Miguel; Alkorta, Ibon ; Toro-Labbé, A.; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2013Preparation of 2,2-dimethylchroman-4-ones from 5-alkyl-substituted resorcinols: Microwave-assisted synthesis and theoretical calculationsMorales, Paula ; Azofra, Luis Miguel; Cumella, José; Hernández-Folgado, Laura ; Roldán, María; Alkorta, Ibon ; Jagerovic, Nadine  artículo
closedAccessaccesoRestringido.pdf.jpg2014Strongly bound noncovalent (SO3)n:H2CO complexes (n = 1, 2)Azofra, Luis Miguel; Alkorta, Ibon ; Scheiner, Stefanartículo
closedAccessaccesoRestringido.pdf.jpg2014Substituent effects in the noncovalent bonding of SO2 to molecules containing a carbonyl group. The dominating role of the chalcogen bondAzofra, Luis Miguel; Scheiner, Stefanartículo
closedAccessaccesoRestringido.pdf.jpg2015Tetrel, chalcogen, and CH..O hydrogen bonds in complexes pairing carbonyl-containing molecules with 1, 2, and 3 molecules of CO2Azofra, Luis Miguel; Scheiner, Stefanartículo
closedAccessaccesoRestringido.pdf.jpg2013Theoretical studies of parent 1-, 2-, 3-pyrazolines and their methylated derivativesBlanco, F.; Lloyd, D. G.; Azofra, Luis Miguel; Alkorta, Ibon ; Elguero, José artículo
closedAccessaccesoRestringido.pdf.jpg2013Theoretical study of the mutarotation of erythrose and threose: Acid catalysisAzofra, Luis Miguel; Alkorta, Ibon ; Elguero, José artículo