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DFT

Llistar Títols per Matèria "DFT"

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doc icon DUGiDocs 11 juny 2004 Desenvolupament, implementació i aplicació de noves metodologies per a l’estudi de la reactivitat química i de les propietats òptiques no lineals Torrent Sucarrat, Miquel
out url icon Recercat Desenvolupament, implementació i aplicació de noves metodologies per a l’estudi de la reactivitat química i de les propietats òptiques no lineals Torrent Sucarrat, Miquel
out url icon DUGiDocs 14 gener 2025 Exploring the use of Rh-catalyzed cyclization reactions for the functionalization of fullerenes Castanyer Caballé, Cristina
out url icon DUGiDocs 21 abril 2023 Rhodium-catalyzed cyclization reactions of 1,5-bisallenes involving alkenes and alkynes: experimental and theoretical studies Vila Vadrí, Jordi
doc icon DUGiDocs 29 juliol 2011 Rhodium(I) catalyzed [2+2+2] cycloaddition reactions: experimental and theoretical studies Dachs Soler, Anna
out url icon Recercat Rhodium(I) catalyzed [2+2+2] cycloaddition reactions: experimental and theoretical studies Dachs Soler, Anna
doc icon DUGiDocs 30 setembre 2003 Single and multiple addition to C60. A computational chemistry study Cases Amat, Montserrat
out url icon Recercat Single and multiple addition to C60. A computational chemistry study Cases Amat, Montserrat
doc icon DUGiDocs 16 octubre 2009 Theoretical study of catalytic reactions of carbenes: haptotropic rearrangements and the Dötz reaction Jiménez Halla, José Óscar Carlos
out url icon Recercat Theoretical study of catalytic reactions of carbenes: haptotropic rearrangements and the Dötz reaction Jiménez Halla, José Óscar Carlos
doc icon DUGiDocs 30 juliol 2009 Theoretical studies of systems of biochemical interest containing Fe and Cu transition metals Güell Serra, Mireia
out url icon Recercat Theoretical studies of systems of biochemical interest containing Fe and Cu transition metals Güell Serra, Mireia
doc icon DUGiDocs 20 juliol 2016 Theoretical study of water oxidation and reduction mechanisms by aminopyridine first row transition metal catalysts Acuña-Parés, Ferran
out url icon Recercat Theoretical study of water oxidation and reduction mechanisms by aminopyridine first row transition metal catalysts Acuña-Parés, Ferran
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