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out url icon Recercat 15 febrer 2020 The role of the long-range exchange corrections in the description of electron delocalization in aromatic species Szczepanik, Dariusz W. ; Solà i Puig, Miquel ; Andrzejak, Marcin ; Pawełek, Barbara ; Dominikowska, Justyna ; Kukułka, Mercedes ; Dyduch, Karol ; Krygowski, Tadeusz M. ; Szatylowicz, Halina
doc icon DUGiDocs The role of the long-range exchange corrections in the description of electron delocalization in aromatic species Szczepanik, Dariusz W. ; Solà i Puig, Miquel ; Andrzejak, Marcin ; Pawełek, Barbara ; Dominikowska, Justyna ; Kukułka, Mercedes ; Dyduch, Karol ; Krygowski, Tadeusz M. ; Szatylowicz, Halina
out url icon Recercat Role of spin state and ligand charge in coordination patterns in complexes of 2,6-diacetylpyridinebis(semioxamazide) with 3d-block metal ions: A density functional theory study Stepanović, Stepan ; Andjelković, Ljubica ; Zlatar, Matija ; Andjelković, Katarina ; Gruden-Pavlović, Maja ; Swart, Marcel
doc icon DUGiDocs 2013 Role of spin state and ligand charge in coordination patterns in complexes of 2,6-diacetylpyridinebis(semioxamazide) with 3d-block metal ions: A density functional theory study Stepanović, Stepan ; Andjelković, Ljubica ; Zlatar, Matija ; Andjelković, Katarina ; Gruden-Pavlović, Maja ; Swart, Marcel
out url icon Recercat The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2 Stepanović, Stepan ; Angelone, Davide ; Gruden-Pavlović, Maja ; Swart, Marcel
out url icon Recercat 1 juny 2018 The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2
out url icon Recercat 5 juny 2018 The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2 Stepanović, Stepan ; Angelone, Davide ; Gruden-Pavlović, Maja ; Swart, Marcel
doc icon DUGiDocs 1 gener 2017 The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2 Stepanović, Stepan ; Angelone, Davide ; Gruden-Pavlović, Maja ; Swart, Marcel
out url icon Recercat SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps Falivene, Laura ; Credendino, Raffaele ; Poater Teixidor, Albert ; Petta, Andrea ; Serra, Luigi ; Oliva, Romina ; Scarano, Vittorio ; Cavallo, Luigi
out url icon Recercat SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps Falivene, Laura ; Credendino, Raffaele ; Poater Teixidor, Albert ; Petta, Andrea ; Serra, Luigi ; Oliva, Romina ; Scarano, Vittorio ; Cavallo, Luigi
out url icon Recercat 1 juny 2018 SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps
out url icon Recercat 5 juny 2018 SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps Falivene, Laura ; Credendino, Raffaele ; Poater Teixidor, Albert ; Petta, Andrea ; Serra, Luigi ; Oliva, Romina ; Scarano, Vittorio ; Cavallo, Luigi
doc icon DUGiDocs 2016 SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps Falivene, Laura ; Credendino, Raffaele ; Poater Teixidor, Albert ; Petta, Andrea ; Serra, Luigi ; Oliva, Romina ; Scarano, Vittorio ; Cavallo, Luigi
media icon DUGiMedia 7 juliol 2010 Secondary interactions organize hydrogen splitting by frustrated Lewis pairs Rokob, Tibor András
out url icon Recercat Selective Metathesis of α-Olefins from Bio-Sourced Fischer–Tropsch Feeds Rouen, Mathieu ; Queval, Pierre ; Borré, Etienne ; Falivene, Laura ; Poater Teixidor, Albert ; Berthod, Mikaël ; Hugues, François ; Cavallo, Luigi ; Baslé, Olivier ; Olivier-Bourbigou, Hélène ; Mauduit, Marc
doc icon DUGiDocs 14 octubre 2016 Selective Metathesis of α-Olefins from Bio-Sourced Fischer–Tropsch Feeds Rouen, Mathieu ; Queval, Pierre ; Borré, Etienne ; Falivene, Laura ; Poater Teixidor, Albert ; Berthod, Mikaël ; Hugues, François ; Cavallo, Luigi ; Baslé, Olivier ; Olivier-Bourbigou, Hélène ; Mauduit, Marc
doc icon DUGiDocs 1991 Semblança molecular: representació n-dimensional d’un conjunt de molècules Calabuig Cabanes, Blanca ; Carbó-Dorca, Ramon ; Martínez, Antoni
out url icon Recercat Semblança molecular: representació n-dimensional d’un conjunt de molècules Calabuig Cabanes, Blanca ; Carbó-Dorca, Ramon ; Martínez, Antoni
out url icon Recercat Separation of dynamic and nondynamic correlation Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Matito i Gras, Eduard
out url icon Recercat Separation of dynamic and nondynamic correlation Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Matito i Gras, Eduard
out url icon Recercat 1 juny 2018 Separation of dynamic and nondynamic correlation
out url icon Recercat 5 juny 2018 Separation of dynamic and nondynamic correlation Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Matito i Gras, Eduard
doc icon DUGiDocs 29 juliol 2016 Separation of dynamic and nondynamic correlation Ramos Cordoba, Eloy ; Salvador Sedano, Pedro ; Matito i Gras, Eduard
out url icon Recercat Serendipitous metal-catalyzed H-H/Si-H exchange Nikonov, Georgii I. ; Vyboishchikov, Sergei F. ; Shirobokov, Oleg G. ; Simionescu, Razvan
doc icon DUGiDocs 2014 Serendipitous metal-catalyzed H-H/Si-H exchange Nikonov, Georgii I. ; Vyboishchikov, Sergei F. ; Shirobokov, Oleg G. ; Simionescu, Razvan
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