Search Results - Aguado-Ullate, Sonia

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  1. 1
    Theoretical Studies of Asymmetric Hydroformylation Using the Rh(R,S)-BINAPHOS Catalyst-Origin of Coordination Preferences and Stereoinduction

    Theoretical Studies of Asymmetric Hydroformylation Using the Rh(R,S)-BINAPHOS Catalyst-Origin of Coordination Preferences and Stereoinduction by Aguado-Ullate, Sonia, Saureu, Sergi, Guasch, Laura, Carbó, Jorge J.

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  2. 2
    Predicting the Enantioselectivity of the Copper-Catalysed Cyclopropanation of Alkenes by Using Quantitative Quadrant-Diagram Representations of the Catalysts

    Predicting the Enantioselectivity of the Copper-Catalysed Cyclopropanation of Alkenes by Using Quantitative Quadrant-Diagram Representations of the Catalysts by Aguado-Ullate, Sonia, Urbano-Cuadrado, Manuel, Villalba, Isabel, Pires, Elísabet, García, José I., Bo, Carles, Carbó, Jorge J.

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  3. 3
    Ammonia Activation by μ3-Alkylidyne Fragments Supported on a Titanium Molecular Oxide Model

    Ammonia Activation by μ3-Alkylidyne Fragments Supported on a Titanium Molecular Oxide Model by Aguado-Ullate, Sonia, Carbó, Jorge J, González-del Moral, Octavio, Martín, Avelino, Mena, Miguel, Poblet, Josep.-M, Santamaría, Cristina

    Published in Inorganic chemistry
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  4. 4
    3D-QSPR models for predicting the enantioselectivity and the activity for asymmetric hydroformylation of styrene catalyzed by Rh–diphosphane

    3D-QSPR models for predicting the enantioselectivity and the activity for asymmetric hydroformylation of styrene catalyzed by Rh–diphosphane by Aguado-Ullate, Sonia, Guasch, Laura, Urbano-Cuadrado, Manuel, Bo, Carles, Carbó, Jorge J.

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  5. 5
    A theoretical study of the activity in Rh-catalysed hydroformylation: the origin of the enhanced activity of the π-acceptor phosphinine ligand

    A theoretical study of the activity in Rh-catalysed hydroformylation: the origin of the enhanced activity of the π-acceptor phosphinine ligand by Aguado-Ullate, Sonia, Baker, John A., González-González, Vanessa, Müller, Christian, Hirst, Jonathan D., Carbó, Jorge J.

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  6. 6
    A theoretical study of the activity in Rh-catalysed hydroformylation: the origin of the enhanced activity of the π-acceptor phosphinine ligandElectronic supplementary information (ESI) available: Tables containing the relative energy values for coordination isomers of mono- and bi-phosphane complexes, the detailed results and description of the EDA bond analysis, and the xyz coordinates for the most relevant computed structures. See DOI: 10.1039/c3cy00956d

    A theoretical study of the activity in Rh-catalysed hydroformylation: the origin of the enhanced activity of the π-acceptor phosphinine ligandElectronic supplementary information (... by Aguado-Ullate, Sonia, Baker, John A, González-González, Vanessa, Müller, Christian, Hirst, Jonathan D, Carbó, Jorge J

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  7. 7
    Ammonia Activation by μ 3 -Alkylidyne Fragments Supported on a Titanium Molecular Oxide Model

    Ammonia Activation by μ 3 -Alkylidyne Fragments Supported on a Titanium Molecular Oxide Model by Aguado-Ullate, Sonia, Carbó, Jorge J., González-del Moral, Octavio, Martín, Avelino, Mena, Miguel, Poblet, Josep.-M., Santamaría, Cristina

    Published in Inorganic chemistry
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  8. 8
    3D-QSPR models for predicting the enantioselectivity and the activity for asymmetric hydroformylation of styrene catalyzed by Rh-diphosphaneElectronic supplementary information (ESI) available: Detailed list of the relative energies of the different geometrical isomers obtained with the conformational search protocol, coefficients of the most predictive QSPR models, structural analysis of the enantioselectivity QSPR model for yanphos ligands, and some technical details. See DOI: 10.1039/c2cy2008

    3D-QSPR models for predicting the enantioselectivity and the activity for asymmetric hydroformylation of styrene catalyzed by Rh-diphosphaneElectronic supplementary information (ES... by Aguado-Ullate, Sonia, Guasch, Laura, Urbano-Cuadrado, Manuel, Bo, Carles, Carbó, Jorge J

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  9. 9
    Discovering the chemical reactivity of the molecular oxonitride [{Ti(η 5-C 5Me 5)(μ-O)} 3(μ 3-N)]

    Discovering the chemical reactivity of the molecular oxonitride [{Ti(η 5-C 5Me 5)(μ-O)} 3(μ 3-N)] by Aguado-Ullate, Sonia, Carbó, Jorge J., González-del Moral, Octavio, Gómez-Pantoja, María, Hernán-Gómez, Alberto, Martín, Avelino, Mena, Miguel, Poblet, Josep.-M., Santamaría, Cristina

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