Browsing by Author Elguero, José

Showing results 1 to 15 of 15
TitleAuthor(s)???itemlist.dc.contributor.advisor??????itemlist.dc.contributor.editor??????itemlist.dc.contributor.titulacion???Issue Date???itemlist.dc.identifier.doi??????itemlist.dc.source??????itemlist.dc.description.sjr??????itemlist.dc.description.sjrq??????itemlist.dc.description.jcr??????itemlist.dc.description.jcrq???TypePreview
A theoretical study of six-membered rings containing the –N=S–S=N– motifAlkorta, Ibon; Azofra Mesa, Luis Miguel ; Sánchez-Sanz, Goar; Elguero, José201210.1007/s11224-012-9991-4Structural chemistry [ISSN 1040-0400], v. 23. p. 1245–12520,525Q21,772Q2Artículo
Mechanisms of Formation of Hemiacetals: Intrinsic Reactivity AnalysisAzofra Mesa, Luis Miguel ; Alkorta, Ibon; Elguero, José; Toro-Labbé, Alejandro201210.1021/jp304495fJournal of Physical Chemistry A [ISSN 1089-5639], 116, p. 8250−82591,494Q22,771Q2ArtículoMechanismsofformation.pdf.jpg
A theoretical reappraisal of the cyclol hypothesisAlkorta, Ibon; Sánchez-Sanz, Goar; Trujillo, Cristina; Azofra Mesa, Luis Miguel ; Elguero, José201210.1007/s11224-012-9947-8Structural chemistry [ISSN 1040-0400], v. 23. p. 873–8770,525Q21,772Q2Artículo
Conformational study of the open-chain and furanose structures of d-erythrose and d-threoseAzofra Mesa, Luis Miguel ; Alkorta, Ibon; Elguero, José; Popelier, Paul L.A.201210.1016/j.carres.2012.06.011Carbohydrate research [ISSN 0008-6215], v. 358, p. 96-1050,773Q22,044Q2Artículo
A theoretical study of hemiacetal formation from the reaction of methanol with derivatives of CX3CHO (X = H, F, Cl, Br and I)Azofra Mesa, Luis Miguel ; Alkorta, Ibon; Elguero, José201210.1002/poc.3017Journal of Physical Organic Chemistry [ISSN 0894-3230], . 25, p. 1286–12920,708Q31,578Q3Artículo
Theoretical studies of parent 1-, 2-, 3-pyrazolines and their methylated derivativesBlanco, Fernando; Lloyd, David G.; Azofra Mesa, Luis Miguel ; Alkorta, Ibon; Elguero, José201310.1007/s11224-012-0091-2Structural chemistry [ISSN 1040-0400], v. 24, p. 421–4320,475Q21,9Q2Artículo
Theoretical study of the mutarotation of erythrose and threose: acid catalysisAzofra Mesa, Luis Miguel ; Alkorta, Ibon; Elguero, José201310.1016/j.carres.2013.01.013Carbohydrate research [ISSN 0008-6215], v. 372, p.1-8Artículo
Modeling the mechanism of glycosylation reactions between ethanol, 1,2-ethanediol and methoxymethanolAzofra Mesa, Luis Miguel ; Alkorta, Ibon; Toro-Labbé, Alejandro; Elguero, José201310.1039/c3cp51963ePhysical Chemistry Chemical Physics [ISSN 1463-9076], v. 15, p. 14026--140361,715Q14,198Q1Artículomodelingthemechanism.pdf.jpg
Conformational preference and chiroptical response of carbohydrates D-ribose and 2-deoxy-D-ribose in aqueous and solid phasesQuesada-Moreno, María Mar; Azofra Mesa, Luis Miguel ; Avilés-Moreno, Juan Ramón; Alkorta, Ibon; Elguero, José, et al201310.1021/jp405121sJournal Of Physical Chemistry B [ISSN 1520-6106], v. 117, 47, p. 14599–146141,494Q13,377Q2Artículoconformationalpreference.pdf.jpg
Carbohydrates in the gas phase: conformational preference ofd-ribose and 2-deoxy-d-riboseAzofra Mesa, Luis Miguel ; Quesada-Moreno, María Mar; Alkorta, Ibon; Avilés-Moreno, Juan Ramón; López-González, Juan Jesús, et al201410.1039/C3NJ01076GNew Journal of Chemistry [ISSN 1144-0546], v. 38, p. 529-5381,01Q13,086Q2Artículocarbohydratesinthegasphase.pdf.jpg
Chiral Discrimination in Dimers of Diphosphines PH2-PH2 and PH2-PHFAzofra, Luis Miguel ; Alkorta, Ibon; Elguero, José201410.1002/cphc.201402086ChemPhysChem [ISSN 1439-4235], v.15, p. 3663 – 3670Artículo
Ab initio study in the hydration process of metaphosphoric acid: the importance of the pnictogen interactionsAlkorta, Ibon; Azofra Mesa, Luis Miguel ; Elguero, José201510.1007/s00214-015-1630-xTheoretical Chemistry Accounts [ISSN 1432-881X], v. 134, 30, 8 p.0,427Q31,806Q3Artículoabinitiostudy.pdf.jpg
Understanding the Aldo-Enediolate Tautomerism of Glycolaldehyde in Basic Aqueous SolutionsAzofra Mesa, Luis Miguel ; Quesada-Moreno, María Mar; Alkorta, Ibon; Avilés-Moreno, Juan Ramón; Elguero, José, et al201510.1002/cphc.201500139ChemPhysChem [ISSN 1439-4235], v. 16, p. 2226 –22361,334Q13,138Q1Artículo
Stabilisation of dianion dimers trapped inside cyanostar macrocyclesAzofra Mesa, Luis Miguel ; Elguero, José; Alkorta, Ibon202010.1039/D0CP01321HPhysical Chemistry Chemical Physics [EISSN 1463-9084], v. 22 (20), p. 11348-11353, (Mayo 2020)1,143Q13,43Q1ArtículoStabilisation of dianion dimers.pdf.jpg
A conceptual DFT study of phosphonate dimers: dianions supported by H-BondsAzofra Mesa, Luis Miguel ; Elguero, José; Alkorta, Ibon202010.1021/acs.jpca.9b10681The journal of physical chemistry. A [ISSN 1520-5215], v. 124 (11), p. 2207-22140,749Q22,6Q2ArtículoConceptual DFT Study.pdf.jpg