DFT

Listing items with Subject "DFT"

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FormatDateTitleAuthor
FormatDateTitleAuthor
doc icon DUGiDocs 2004 June 11 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
doc icon DUGiDocs 2011 July 29 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 2003 September 30 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 2009 October 16 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 2009 July 30 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 2016 July 20 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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