QUIMICA FISICA
Departamento
Gregori
Ujaque Pérez
Publicaciones en las que colabora con Gregori Ujaque Pérez (7)
2014
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Counteranion-dependent reaction pathways in the protonation of cationic ruthenium-vinylidene complexes
Organometallics, Vol. 33, Núm. 10, pp. 2549-2560
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The transmetalation process in Suzuki-Miyaura reactions: Calculations indicate lower barrier via boronate intermediate
ChemCatChem, Vol. 6, Núm. 11, pp. 3132-3138
2013
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Counteranion and solvent assistance in ruthenium-mediated alkyne to vinylidene isomerizations
Inorganic Chemistry, Vol. 52, Núm. 15, pp. 8919-8932
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Mechanistic studies on the Pd-catalyzed vinylation of aryl halides with vinylalkoxysilanes in water: The effect of the solvent and NaOH promoter
Journal of the American Chemical Society, Vol. 135, Núm. 37, pp. 13749-13763
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Solution dynamics of agostic interactions in T-shaped Pt(ii) complexes from ab initio molecular dynamics simulations
Dalton Transactions, Vol. 42, Núm. 34, pp. 12165-12172
2011
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Do metal⋯water hydrogen bonds hold in solution? Insight from Ab initio molecular dynamics simulations
ChemPhysChem, Vol. 12, Núm. 9, pp. 1666-1668
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Internal alkyne isomerization to vinylidene versus stable π-Alkyne: Theoretical and experimental study on the divergence of analogous Cp*Ru and TpRu systems
Organometallics, Vol. 30, Núm. 15, pp. 4014-4031