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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
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1 juny 2018 |
The role of the long-range exchange corrections in the description of electron delocalization in aromatic species |
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5 juny 2018 |
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
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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
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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
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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
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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
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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
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1 juny 2018 |
The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2 |
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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
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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
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Self-Assembled Tetragonal Prismatic Molecular Cage Highly Selective for Anionic π Guests |
GarcÃa Simón, Cristina
; Garcia Borrà s, Marc
; Gómez MartÃn, Laura
; Garcia Bosch, Isaac
; Osuna Oliveras, SÃlvia
; Swart, Marcel
; Luis Luis, Josep Maria
; Rovira, Concepció
; Almeida, Manuel
; Imaz, Inhar
; Maspoch, Daniel
; Costas Salgueiro, Miquel
; Ribas Salamaña, Xavi
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2013 |
Self-Assembled Tetragonal Prismatic Molecular Cage Highly Selective for Anionic π Guests |
GarcÃa Simón, Cristina
; Garcia Borrà s, Marc
; Gómez MartÃn, Laura
; Garcia Bosch, Isaac
; Osuna Oliveras, SÃlvia
; Swart, Marcel
; Luis Luis, Josep Maria
; Rovira, Concepció
; Almeida, Manuel
; Imaz, Inhar
; Maspoch, Daniel
; Costas Salgueiro, Miquel
; Ribas Salamaña, Xavi
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Silica-Supported Tungsten Carbynes (≡SiO)xW(≡CH)(Me)y (x = 1, y = 2; x = 2, y = 1): New Efficient Catalysts for Alkyne Cyclotrimerization |
Riache, Nassima
; Dery, Alexandre
; Callens, Emmanuel
; Poater Teixidor, Albert
; Samantaray, Manoja K.
; Dey, Raju
; Hong, Jinhua
; Li, Kun
; Cavallo, Luigi
; Basset, Jean Marie
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23 febrer 2015 |
Silica-Supported Tungsten Carbynes (≡SiO)xW(≡CH)(Me)y (x = 1, y = 2; x = 2, y = 1): New Efficient Catalysts for Alkyne Cyclotrimerization |
Riache, Nassima
; Dery, Alexandre
; Callens, Emmanuel
; Poater Teixidor, Albert
; Samantaray, Manoja K.
; Dey, Raju
; Hong, Jinhua
; Li, Kun
; Cavallo, Luigi
; Basset, Jean-Marie
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In Silico Olefin Metathesis with Ru-Based Catalysts Containing N-Heterocyclic Carbenes Bearing C60 Fullerenes |
MartÃnez, Juan Pablo
; Vummaleti, Sai Vikrama Chaitanya
; Falivene, Laura
; Nolan, Steven P.
; Cavallo, Luigi
; Solà i Puig, Miquel
; Poater Teixidor, Albert
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4 maig 2016 |
In Silico Olefin Metathesis with Ru-Based Catalysts Containing N-Heterocyclic Carbenes Bearing C60 Fullerenes |
MartÃnez López, Juan Pablo
; Vummaleti, Sai Vikrama Chaitanya
; Falivene, Laura
; Nolan, Steven P.
; Cavallo, Luigi
; Solà i Puig, Miquel
; Poater Teixidor, Albert
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In Silico Switch from Second- to First-Row Transition Metals in Olefin Metathesis: From Ru to Fe and from Rh to Co |
Luque Urrutia, Jesús Antonio
; Gimferrer Andrés, MartÃ
; Casals Cruañas, Èric
; Poater Teixidor, Albert
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1 juny 2018 |
In Silico Switch from Second- to First-Row Transition Metals in Olefin Metathesis: From Ru to Fe and from Rh to Co |
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5 juny 2018 |
In Silico Switch from Second- to First-Row Transition Metals in Olefin Metathesis: From Ru to Fe and from Rh to Co |
Luque Urrutia, Jesús Antonio
; Gimferrer Andrés, MartÃ
; Casals Cruañas, Èric
; Poater Teixidor, Albert
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14 desembre 2017 |
In Silico Switch from Second- to First-Row Transition Metals in Olefin Metathesis: From Ru to Fe and from Rh to Co |
Luque Urrutia, Jesús Antonio
; Gimferrer Andrés, MartÃ
; Casals Cruañas, Èric
; Poater Teixidor, Albert
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A simple link between hydrocarbon and borohydride chemistries |
Teixidor, Francesc
; Poater i Teixidor, Jordi
; Solà i Puig, Miquel
; Viñas, Clara
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2013 |
A simple link between hydrocarbon and borohydride chemistries |
Teixidor Bombardó, Francesc
; Poater i Teixidor, Jordi
; Solà i Puig, Miquel
; Viñas, Clara
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1996 |
Sobre els mapes de semblança quà ntica molecular |
Fradera i Llinà s, Xavier
; Amat Barnés, LluÃs
; Carbó-Dorca, Ramon
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Sobre els mapes de semblança quà ntica molecular |
Fradera i Llinà s, Xavier
; Amat Barnés, LluÃs
; Carbó-Dorca, Ramon
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