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Browsing by Author Trujillo, C.

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Showing results 1 to 13 of 13
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closedAccessaccesoRestringido.pdf.jpg2013A theoretical investigation of the mechanism of formation of a simplified analog of the green fluorescent protein (GFP) from a peptide modelTrujillo, C.; Sánchez-Sanchez, Goar; Alkorta, Ibon CSIC ORCID; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2012A theoretical NMR study of the structure of benzynes and some of their carbocyclic and heterocyclic analogsSánchez-Sanz, G.; Alkorta, Ibon CSIC ORCID; Trujillo, C.; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2012A theoretical reappraisal of the cyclol hypothesisAlkorta, Ibon CSIC ORCID; Sánchez-Sanz, G.; Trujillo, C.; Azofra, Luis Miguel; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2011A theoretical study of the hydrogen bonding properties of H2BNH2: Some considerations on the basis set superposition error issueAlkorta, Ibon CSIC ORCID; Trujillo, C.; Elguero, José CSIC ORCID; Solimannejad, Mohammadartículo
closedAccessaccesoRestringido.pdf.jpg2012Competition and interplay between σ-hole and π-hole interactions: A computational study of 1:1 and 1:2 complexes of nitryl halides (O 2NX) with ammoniaSolimannejad, Mohammad; Ramezani, V.; Trujillo, C.; Alkorta, Ibon CSIC ORCID; Sánchez-Sanz, Goar; Elguero, José CSIC ORCIDartículo
openAccessPhys. Chem. Chem. Phys. 2015.pdf.jpg2015Influence of fluoro and cyano substituents in the aromatic and antiaromatic characteristics of cyclooctatetraeneSánchez-Sanz, Goar; Trujillo, C.; Rozas, Isabel; Alkorta, Ibon CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2012Intermolecular weak interactions in HTeXH dimers (X=O, S, Se, Te): Hydrogen bonds, chalcogen-chalcogen contacts and chiral discriminationSánchez-Sanz, G.; Trujillo, C.; Alkorta, Ibon CSIC ORCID; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2013Intramolecular pnicogen interactions in PHF-(CH2) n-PHF (n=2-6) systemsSanchez-Sanchez, Goar; Alkorta, Ibon CSIC ORCID; Trujillo, C.; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2011Simultaneous interactions of anions and cations with cyclohexane and adamantane: Aliphatic cyclic hydrocarbons as charge insulatorsTrujillo, C.; Sánchez-Sanz, G.; Alkorta, Ibon CSIC ORCID; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2011TDDFT study of the UV-vis spectra of subporphyrazines and subphthalocyaninesLamsabhi, A. M.; Yáñez, M.; Mó, O.; Trujillo, C.; Blanco, F.; Alkorta, Ibon CSIC ORCID; Elguero, José CSIC ORCID; Caballero, E.; Rodríguez-Morgade, M. Salomé; Claessen, C. G.; Torres, T.artículo
closedAccessaccesoRestringido.pdf.jpg2015Theoretical study of cyanophosphines: Pnicogen vs. dipole-dipole interactionsSánchez-Sanz, Goar; Trujillo, C.; Alkorta, Ibon CSIC ORCID; Elguero, José CSIC ORCIDartículo
closedAccessaccesoRestringido.pdf.jpg2012Thermodynamic and hydrogen-bond basicity of phosphine oxides: Effect of the ring strainTrujillo, C.; Sánchez-Sanz, Goar; Alkorta, Ibon CSIC ORCID; Elguero, José CSIC ORCIDartículo
openAccessPhys. Chem. Chem. Phys.,2012, 14, 9880-9889.pdf.jpg2012Weak interactions between hypohalous acids and dimethylchalcogensSánchez-Sanz, Goar; Trujillo, C.; Alkorta, Ibon CSIC ORCID; Elguero, José CSIC ORCIDartículo