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doc icon DUGiDocs 2015 March 15 Evaluation of an olefin metathesis pre-catalyst with a bulky and electron-rich N-heterocyclic carbene Manzini, Simone ; Cavallo, Luigi ; Nolan, Steven P. ; Urbina-Blanco, Cesar A. ; Nelson, David J. ; Poater Teixidor, Albert ; Lebl, Tomas ; Meiries, SĂ©bastien ; Slawin, Alexandra M. Z. ; Falivene, Laura
out url icon Recercat Evaluation of an olefin metathesis pre-catalyst with a bulky and electron-rich N-heterocyclic carbene Manzini, Simone ; Cavallo, Luigi ; Nolan, Steven P. ; Urbina-Blanco, Cesar A. ; Nelson, David J. ; Poater Teixidor, Albert ; Lebl, Tomas ; Meiries, SĂ©bastien ; Slawin, Alexandra M. Z. ; Falivene, Laura
doc icon DUGiDocs 2016 December 14 Excitonic Interfacial Proton-Coupled Electron Transfer Mechanism in the Photocatalytic Oxidation of Methanol to Formaldehyde on TiO2(110) Migani, Annapaola ; Blancafort San José, Lluís
out url icon Recercat Excitonic Interfacial Proton-Coupled Electron Transfer Mechanism in the Photocatalytic Oxidation of Methanol to Formaldehyde on TiO2(110) Migani, Annapaola ; Blancafort San José, Lluís
out url icon Recercat Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino) benzaldehyde Čobeljić, Božidar ; Pevec, Andrej ; Stepanović, Stepan ; Spasojević, Vojislav ; Milenković, Milica ; Turel, Iztok ; Swart, Marcel ; Gruden-Pavlović, Maja ; Adaila, Kawther ; Anelković, Katarina
doc icon DUGiDocs 2015 Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino) benzaldehyde Čobeljić, Božidar ; Pevec, Andrej ; Stepanović, Stepan ; Spasojević, Vojislav ; Milenković, Milica ; Turel, Iztok ; Swart, Marcel ; Gruden-Pavlović, Maja ; Adaila, Kawther ; Andjelković, Katarina
doc icon DUGiDocs 2013 Exploring new generations of ruthenium olefin metathesis catalysts: the reactivity of a bis-ylidene ruthenium complex by DFT Poater Teixidor, Albert ; Credendino, Raffaele ; Slugovc, Christian ; Cavallo, Luigi
out url icon Recercat Exploring new generations of ruthenium olefin metathesis catalysts: the reactivity of a bis-ylidene ruthenium complex by DFT Poater Teixidor, Albert ; Credendino, Raffaele ; Slugovc, Christian ; Cavallo, Luigi
doc icon DUGiDocs 2014 Exploring the potential energy surface of E2P4 clusters (E=Group 13 element): The quest for inverse carbon-free sandwiches Castro Aguilera, Abril Carolina ; Osorio, Edison ; Cabellos, José Luis ; Cerpa, Erick ; Matito i Gras, Eduard ; Solà i Puig, Miquel ; Swart, Marcel ; Merino, Gabriel
out url icon Recercat Exploring the potential energy surface of E2P4 clusters (E=Group 13 element): The quest for inverse carbon-free sandwiches Castro Aguilera, Abril Carolina ; Osorio, Edison ; Cabellos, José Luis ; Cerpa, Erick ; Matito i Gras, Eduard ; Solà i Puig, Miquel ; Swart, Marcel ; Merino, Gabriel
out url icon Recercat Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study Martínez, Juan Pablo ; Osuna Oliveras, Sílvia ; Solà i Puig, Miquel ; Voityuk, Alexander A.
doc icon DUGiDocs 2015 Extent of charge separation and exciton delocalization for electronically excited states in a triphenylamine-C60 donor–acceptor conjugate: a combined molecular dynamics and TD-DFT study Martínez López, Juan Pablo ; Osuna Oliveras, Sílvia ; Solà i Puig, Miquel ; Voityuk, Alexander A.
doc icon DUGiDocs 2015 February 9 Fluxional behavior of molecular WMe6 and of silica grafted WMe6 Credendino, Raffaele ; Vignola, Emanuele ; Poater Teixidor, Albert ; Callens, Emmanuel ; Basset, Jean Marie ; Cavallo, Luigi
out url icon Recercat Fluxional behavior of molecular WMe6 and of silica grafted WMe6 Credendino, Raffaele ; Vignola, Emanuele ; Poater Teixidor, Albert ; Callens, Emmanuel ; Basset, Jean Marie ; Cavallo, Luigi
out url icon Recercat Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster Osuna Oliveras, Sílvia ; Valencia, Ramón ; Rodríguez Fortea, Antonio ; Swart, Marcel ; Solà i Puig, Miquel ; Poblet, Josep M.
out url icon Recercat Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster Osuna Oliveras, Sílvia ; Valencia, Ramon ; Rodríguez Fortea, Antonio ; Swart, Marcel ; Solà i Puig, Miquel ; Poblet, Josep M.
doc icon DUGiDocs 2012 Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster Osuna Oliveras, Sílvia ; Valencia, Ramon ; Rodríguez Fortea, Antonio ; Swart, Marcel ; Solà i Puig, Miquel ; Poblet, Josep M.
doc icon DUGiDocs 1987 Fuzzy set Theory and Quantum Chemistry CarbĂł-Dorca, Ramon
out url icon Recercat Fuzzy set Theory and Quantum Chemistry CarbĂł-Dorca, Ramon
doc icon DUGiDocs 2016 February How carbo-benzenes fit molecules in their inner core as do biologic ion carriers? Turias, Francesc ; Poater i Teixidor, Jordi ; Chauvin, Remi ; Poater Teixidor, Albert
out url icon Recercat How carbo-benzenes fit molecules in their inner core as do biologic ion carriers? Turias, Francesc ; Poater i Teixidor, Jordi ; Chauvin, Remi ; Poater Teixidor, Albert
doc icon DUGiDocs 2013 How does the addition of steric hindrance to a typical N-heterocyclic carbene ligand affect catalytic activity in olefin metathesis? Poater Teixidor, Albert ; Falivene, Laura ; Urbina-Blanco, Cesar A. ; Manzini, Simone ; Nolan, Steven P. ; Cavallo, Luigi
out url icon Recercat How does the addition of steric hindrance to a typical N-heterocyclic carbene ligand affect catalytic activity in olefin metathesis? Poater Teixidor, Albert ; Falivene, Laura ; Urbina-Blanco, Cesar A. ; Manzini, Simone ; Nolan, Steven P. ; Cavallo, Luigi
doc icon DUGiDocs 2016 How easy is CO2 fixation by M–C bond containing complexes (M = Cu, Ni, Co, Rh, Ir)? Vummaleti, Sai Vikrama Chaitanya ; Talarico, Giovanni ; Nolan, Steven P. ; Cavallo, Luigi ; Poater Teixidor, Albert
out url icon Recercat How easy is CO2 fixation by M–C bond containing complexes (M = Cu, Ni, Co, Rh, Ir)? Vummaleti, Sai Vikrama Chaitanya ; Talarico, Giovanni ; Nolan, Steven P. ; Cavallo, Luigi ; Poater Teixidor, Albert
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