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DUGi: Llistar Títols | dc.subject:"Density functionals" | 200 - 225


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doc icon DUGiDocs 14 desembre 2015 Mechanism of Intramolecular Rhodium- and Palladium-Catalyzed Alkene Alkoxyfunctionalizations Vummaleti, Sai Vikrama Chaitanya ; Al-Ghamdi, Miasser ; Poater Teixidor, Albert ; Falivene, Laura ; Scaranto, Jessica ; Beetstra, Dirk J. ; Morton, Jason G. ; Cavallo, Luigi
out url icon Recercat The Mechanism of Stereospecific CH Oxidation by Fe(Pytacn) Complexes: Bioinspired Non-Heme Iron Catalysts Containing cis-Labile Exchangeable Sites Prat Casellas, Irene ; Company Casadevall, Anna ; Postils, Verònica ; Ribas Salamaña, Xavi ; Que, Lawrence ; Luis Luis, Josep Maria ; Costas Salgueiro, Miquel
doc icon DUGiDocs 2013 The Mechanism of Stereospecific CH Oxidation by Fe(Pytacn) Complexes: Bioinspired Non-Heme Iron Catalysts Containing cis-Labile Exchangeable Sites Prat Casellas, Irene ; Company Casadevall, Anna ; Postils Ribó, Verònica ; Ribas Salamaña, Xavi ; Que, Lawrence ; Luis Luis, Josep Maria ; Costas Salgueiro, Miquel
out url icon Recercat Mechanism of the suzuki-miyaura cross-coupling reaction mediated by [Pd(NHC)(allyl)Cl] Precatalysts Meconi, Giulia Magi ; Vummaleti, Sai Vikrama Chaitanya ; Luque Urrutia, Jesús Antonio ; Belanzoni, Paola ; Nolan, Steven P. ; Jacobsen, Heiko ; Cavallo, Luigi ; Solà i Puig, Miquel ; Poater Teixidor, Albert
out url icon Recercat Mechanism of the suzuki-miyaura cross-coupling reaction mediated by [Pd(NHC)(allyl)Cl] Precatalysts Meconi, Giulia Magi ; Vummaleti, Sai Vikrama Chaitanya ; Luque Urrutia, Jesús Antonio ; Belanzoni, Paola ; Nolan, Steven P. ; Jacobsen, Heiko ; Cavallo, Luigi ; Solà i Puig, Miquel ; Poater Teixidor, Albert
out url icon Recercat Mechanism of the suzuki-miyaura cross-coupling reaction mediated by [Pd(NHC)(allyl)Cl] Precatalysts Meconi, Giulia Magi ; Vummaleti, Sai Vikrama Chaitanya ; Luque Urrutia, Jesús Antonio ; Belanzoni, Paola ; Nolan, Steven P. ; Jacobsen, Heiko ; Cavallo, Luigi ; Solà i Puig, Miquel ; Poater Teixidor, Albert
out url icon Recercat 1 juny 2018 Mechanism of the suzuki-miyaura cross-coupling reaction mediated by [Pd(NHC)(allyl)Cl] Precatalysts
out url icon Recercat 5 juny 2018 Mechanism of the suzuki-miyaura cross-coupling reaction mediated by [Pd(NHC)(allyl)Cl] Precatalysts Meconi, Giulia Magi ; Vummaleti, Sai Vikrama Chaitanya ; Luque Urrutia, Jesús Antonio ; Belanzoni, Paola ; Nolan, Steven P. ; Jacobsen, Heiko ; Cavallo, Luigi ; Solà i Puig, Miquel ; Poater Teixidor, Albert
out url icon Recercat 15 febrer 2020 Mechanism of the suzuki-miyaura cross-coupling reaction mediated by [Pd(NHC)(allyl)Cl] Precatalysts Meconi, Giulia Magi ; Vummaleti, Sai Vikrama Chaitanya ; Luque Urrutia, Jesús Antonio ; Belanzoni, Paola ; Nolan, Steven P. ; Jacobsen, Heiko ; Cavallo, Luigi ; Solà i Puig, Miquel ; Poater Teixidor, Albert
doc icon DUGiDocs Mechanism of the suzuki-miyaura cross-coupling reaction mediated by [Pd(NHC)(allyl)Cl] Precatalysts Meconi, Giulia Magi ; Vummaleti, Sai Vikrama Chaitanya ; Luque Urrutia, Jesús Antonio ; Belanzoni, Paola ; Nolan, Steven P. ; Jacobsen, Heiko ; Cavallo, Luigi ; Solà i Puig, Miquel ; Poater Teixidor, Albert
out url icon Recercat Mechanism of the Transmetalation of Organosilanes to Gold Falivene, Laura ; Nelson, David J. ; Dupuy, Stéphanie ; Nolan, Steven P. ; Poater Teixidor, Albert ; Cavallo, Luigi
out url icon Recercat Mechanism of the Transmetalation of Organosilanes to Gold Falivene, Laura ; Nelson, David J. ; Dupuy, Stéphanie ; Nolan, Steven P. ; Poater Teixidor, Albert ; Cavallo, Luigi
out url icon Recercat 1 juny 2018 Mechanism of the Transmetalation of Organosilanes to Gold
out url icon Recercat 5 juny 2018 Mechanism of the Transmetalation of Organosilanes to Gold Falivene, Laura ; Nelson, David J. ; Dupuy, Stéphanie ; Nolan, Steven P. ; Poater Teixidor, Albert ; Cavallo, Luigi
doc icon DUGiDocs febrer 2016 Mechanism of the Transmetalation of Organosilanes to Gold Falivene, Laura ; Nelson, David J. ; Dupuy, Stéphanie ; Nolan, Steven P. ; Poater Teixidor, Albert ; Cavallo, Luigi
out url icon Recercat Mechanistic Insights of a Selective C-H Alkylation of Alkenes by a Ru–based Catalyst and Alcohols Poater Teixidor, Albert ; Vummaleti, Sai Vikrama Chaitanya ; Polo Ortiz, Alfonso ; Cavallo, Luigi
doc icon DUGiDocs 2016 Mechanistic Insights of a Selective C-H Alkylation of Alkenes by a Ru–based Catalyst and Alcohols Poater Teixidor, Albert ; Vummaleti, Sai Vikrama Chaitanya ; Polo Ortiz, Alfonso ; Cavallo, Luigi
out url icon Recercat Modeling exact exchange potential in spherically confined atoms Vyboishchikov, Sergei F.
doc icon DUGiDocs 15 octubre 2015 Modeling exact exchange potential in spherically confined atoms Vyboishchikov, Sergei F.
doc icon DUGiDocs setembre 2017 Modelització de la melanina Casademont Ojeda, Aleix
doc icon DUGiDocs 29 juny 2004 Molecular quantum similarity in QSAR: applications in computer-aided molecular design Gallegos Saliner, Ana
out url icon Recercat Molecular quantum similarity in QSAR: applications in computer-aided molecular design Gallegos Saliner, Ana
doc icon DUGiDocs 14 juliol 2016 Molecular rearrangement of an Aza-Scorpiand macrocycle induced by pH: A computational study Julián Ortiz, Jesús Vicente de ; Verdejo, Begoña ; Polo, Víctor ; Besalú i Llorà, Emili ; García-España, Enrique
out url icon Recercat Molecular rearrangement of an Aza-Scorpiand macrocycle induced by pH: A computational study Julián Ortiz, Jesús Vicente de ; Verdejo, Begoña ; Polo, Víctor ; Besalú i Llorà, Emili ; García-España, Enrique
out url icon Recercat Molecular rearrangement of an Aza-Scorpiand macrocycle induced by pH: A computational study Julián Ortiz, Jesús Vicente de ; Verdejo, Begoña ; Polo, Víctor ; Besalú i Llorà, Emili ; García-España, Enrique
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Matèries


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Autors


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