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out url icon Recercat 2018 June 5 Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene Zaleśny, Robert ; Bulik, Ireneusz W. ; Bartkowiak, Wojciech ; Luis Luis, Josep Maria ; Avramopoulos, Aggelos ; Papadopoulos, Manthos G. ; Krawczyk, Przemyslaw
out url icon Recercat 2020 February 15 Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene Zaleśny, Robert ; Bulik, Ireneusz W. ; Bartkowiak, Wojciech ; Luis Luis, Josep Maria ; Avramopoulos, Aggelos ; Papadopoulos, Manthos G. ; Krawczyk, Przemyslaw
doc icon DUGiDocs 2015 November 1 Enantioselective Rhodium (I) Donor Carbenoid-Mediated Cascade Triggered by a Base-Free Decomposition of Arylsulfonyl Hydrazones Torres AntĂłn, Ă’scar ; Parella Coll, Teodor ; SolĂ  i Puig, Miquel ; Roglans i Ribas, Anna ; Pla i Quintana, Anna
out url icon Recercat Enantioselective Rhodium (I) Donor Carbenoid-Mediated Cascade Triggered by a Base-Free Decomposition of Arylsulfonyl Hydrazones Torres AntĂłn, Ă’scar ; Parella Coll, Teodor ; SolĂ  i Puig, Miquel ; Roglans i Ribas, Anna ; Pla i Quintana, Anna
doc icon DUGiDocs 2015 Endohedral metal-induced regioselective formation of bis-prato adduct of Y3N@ Ih-C80 and Gd3N@ Ih-C80 Aroua, Safwan ; Garcia Borràs, Marc ; Bölter, Marc Florian ; Osuna Oliveras, Sílvia ; Yamakoshi, Yoko
out url icon Recercat Endohedral metal-induced regioselective formation of bis-prato adduct of Y3N@ Ih-C80 and Gd3N@ Ih-C80 Aroua, Safwan ; Garcia Borràs, Marc ; Bölter, Marc Florian ; Osuna Oliveras, Sílvia ; Yamakoshi, Yoko
doc icon DUGiDocs 2004 Energy partitioning for "fuzzy" atoms Salvador Sedano, Pedro ; Mayer, István
out url icon Recercat Energy partitioning for "fuzzy" atoms Salvador Sedano, Pedro ; Mayer, István
doc icon DUGiDocs 2017 June Entenent el comportament erràtic dels funcionals de bescanvi-correlació: descomposició atòmica i diatòmica de propietats òptiques no-lineals Montilla Busquets, Marc
out url icon Recercat Entenent el comportament erràtic dels funcionals de bescanvi-correlació: descomposició atòmica i diatòmica de propietats òptiques no-lineals Montilla Busquets, Marc
doc icon DUGiDocs 2014 January 1 Environmental friendly Fe substitutive of Ru in water oxidation catalysis Poater Teixidor, Albert
out url icon Recercat Environmental friendly Fe substitutive of Ru in water oxidation catalysis Poater Teixidor, Albert
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
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