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55 items found

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FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 2014 Indenyl effect due to metal slippage? Computational exploration of rhodium-catalyzed acetylene [2+2+2] cyclotrimerization Orian, Laura ; Swart, Marcel ; Bickelhaupt, F. Matthias
out url icon Recercat A new all-round density functional based on spin states and SN2 barriers Swart, Marcel ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat A new all-round density functional based on spin states and SN2 barriers Swart, Marcel ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat 2018 June 5 A new all-round density functional based on spin states and SN2 barriers Swart, Marcel ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat 2020 February 15 A new all-round density functional based on spin states and SN2 barriers Swart, Marcel ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias
doc icon DUGiDocs 2009 A new all-round density functional based on spin states and SN2 barriers Swart, Marcel ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat Origin of reactivity trends of noble gas endohedral fullerenes Ng2atC60(Ng = He to Xe) Fenández López, Israel ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias
doc icon DUGiDocs 2014 Origin of reactivity trends of noble gas endohedral fullerenes Ng2atC60(Ng = He to Xe) Fenández López, Israel ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias
out url icon Recercat Reaction Mechanism and Regioselectivity of the Bingel-Hirsch Addition of Dimethyl Bromomalonate to La@C2v-C82 Martínez, Juan Pablo ; Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Poater i Teixidor, Jordi ; Bickelhaupt, F. Matthias ; Solà i Puig, Miquel
doc icon DUGiDocs 2016 Reaction Mechanism and Regioselectivity of the Bingel-Hirsch Addition of Dimethyl Bromomalonate to La@C2v-C82 Martínez López, Juan Pablo ; Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Poater i Teixidor, Jordi ; Bickelhaupt, F. Matthias ; Solà i Puig, Miquel
out url icon Recercat Reactivity of fullerenes, endohedral metallofullerenes, and nanotubes, and their possible application in solar energy conversion Martínez López, Juan Pablo
doc icon DUGiDocs 2016 November 18 Reactivity of fullerenes, endohedral metallofullerenes, and nanotubes, and their possible application in solar energy conversion Martínez López, Juan Pablo
out url icon Recercat Reactivity and selectivity of bowl-shaped polycyclic aromatic hydrocarbons: Relationship to C60 García-Rodeja, Yago ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias ; Fenández López, Israel
out url icon Recercat Reactivity and selectivity of bowl-shaped polycyclic aromatic hydrocarbons: Relationship to C60 García-Rodeja, Yago ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias ; Fenández López, Israel
out url icon Recercat 2018 June 5 Reactivity and selectivity of bowl-shaped polycyclic aromatic hydrocarbons: Relationship to C60 García-Rodeja, Yago ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias ; Fenández López, Israel
doc icon DUGiDocs 2016 January 22 Reactivity and selectivity of bowl-shaped polycyclic aromatic hydrocarbons: Relationship to C60 García-Rodeja, Yago ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias ; Fenández López, Israel
out url icon Recercat Solvent effects on hydrogen bonds in Watson-Crick, mismatched, and modified DNA base pairs Poater i Teixidor, Jordi ; Swart, Marcel ; Fonseca Guerra, Célia ; Bickelhaupt, F. Matthias
doc icon DUGiDocs 2012 Solvent effects on hydrogen bonds in Watson-Crick, mismatched, and modified DNA base pairs Poater i Teixidor, Jordi ; Swart, Marcel ; Fonseca Guerra, Célia ; Bickelhaupt, F. Matthias
out url icon Recercat Understanding the reactivity of endohedral metallofullerenes: C78 versus Sc3N@C78 Bickelhaupt, F. Matthias ; Solà i Puig, Miquel ; Fenández López, Israel
doc icon DUGiDocs 2015 April 7 Understanding the reactivity of endohedral metallofullerenes: C78 versus Sc3N@C78 Bickelhaupt, F. Matthias ; Solà i Puig, Miquel ; Fenández López, Israel
out url icon Recercat Understanding the Reactivity of Ion-Encapsulated Fullerenes García-Rodeja, Yago ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias ; Fenández López, Israel
out url icon Recercat Understanding the Reactivity of Ion-Encapsulated Fullerenes García-Rodeja, Yago ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias ; Fenández López, Israel
out url icon Recercat Understanding the Reactivity of Ion-Encapsulated Fullerenes García-Rodeja, Yago ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias ; Fenández López, Israel
out url icon Recercat 2018 June 5 Understanding the Reactivity of Ion-Encapsulated Fullerenes García-Rodeja, Yago ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias ; Fenández López, Israel
out url icon Recercat 2020 February 15 Understanding the Reactivity of Ion-Encapsulated Fullerenes García-Rodeja, Yago ; Solà i Puig, Miquel ; Bickelhaupt, F. Matthias ; Fenández López, Israel
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