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2014 |
The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes |
Garcia Borrà s, Marc
; Osuna Oliveras, SÃlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
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The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics |
Guillaumes Domènech, Laia
; Simon i Rabasseda, SÃlvia
; Fonseca Guerra, Célia
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The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics |
Guillaumes Domènech, Laia
; Simon i Rabasseda, SÃlvia
; Fonseca Guerra, Célia
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1 juny 2018 |
The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics |
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5 juny 2018 |
The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics |
Guillaumes Domènech, Laia
; Simon i Rabasseda, SÃlvia
; Fonseca Guerra, Célia
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juny 2015 |
The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics |
Guillaumes Domènech, Laia
; Simon i Rabasseda, SÃlvia
; Fonseca Guerra, Célia
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15 febrer 2020 |
The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics |
Guillaumes Domènech, Laia
; Simon i Rabasseda, SÃlvia
; Fonseca Guerra, Célia
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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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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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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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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
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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
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1 juny 2018 |
SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps |
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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
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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
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