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out url icon Recercat 2020 February 15 The relevance of the Laplacian of intracule and extracule density distributions for analyzing electron-electron interactions in molecules Fradera i LlinĂ s, Xavier ; Duran i Portas, Miquel ; Mestres i LĂłpez, Jordi
out url icon Recercat Rhodium-Catalyzed [2+2+2] Cycloaddition Reactions of Linear Allene–Ene–Ynes to afford Fused Tricyclic Scaffolds: Insights into the Mechanism Cassú Ponsatí, Daniel ; Parella Coll, Teodor ; Solà i Puig, Miquel ; Pla i Quintana, Anna ; Roglans i Ribas, Anna
out url icon Recercat 2018 June 1 Rhodium-Catalyzed [2+2+2] Cycloaddition Reactions of Linear Allene–Ene–Ynes to afford Fused Tricyclic Scaffolds: Insights into the Mechanism
out url icon Recercat 2018 June 5 Rhodium-Catalyzed [2+2+2] Cycloaddition Reactions of Linear Allene–Ene–Ynes to afford Fused Tricyclic Scaffolds: Insights into the Mechanism Cassú Ponsatí, Daniel ; Parella Coll, Teodor ; Solà i Puig, Miquel ; Pla i Quintana, Anna ; Roglans i Ribas, Anna
out url icon Recercat 2020 February 15 Rhodium-Catalyzed [2+2+2] Cycloaddition Reactions of Linear Allene–Ene–Ynes to afford Fused Tricyclic Scaffolds: Insights into the Mechanism Cassú Ponsatí, Daniel ; Parella Coll, Teodor ; Solà i Puig, Miquel ; Pla i Quintana, Anna ; Roglans i Ribas, Anna
out url icon Recercat 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, Sílvia ; Fonseca Guerra, Célia
out url icon Recercat 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, Sílvia ; Fonseca Guerra, Célia
out url icon Recercat 2018 June 1 The Role of Aromaticity, Hybridization, Electrostatics, and Covalency in Resonance-Assisted Hydrogen Bonds of Adenine–Thymine (AT) Base Pairs and Their Mimics
out url icon Recercat 2018 June 5 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, Sílvia ; Fonseca Guerra, Célia
doc icon DUGiDocs 2015 June 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, Sílvia ; Fonseca Guerra, Célia
out url icon Recercat 2020 February 15 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, Sílvia ; Fonseca Guerra, Célia
doc icon DUGiDocs 2012 Role of hyperconjugation in the 1,2-shift reactivity of bicyclo[2.1.0]pentane and cyclopropane radical cations: A computational study Blancafort San José, Lluís ; Williams, Ffrancon
out url icon Recercat Role of hyperconjugation in the 1,2-shift reactivity of bicyclo[2.1.0]pentane and cyclopropane radical cations: A computational study Blancafort San José, Lluís ; Williams, Ffrancon
out url icon Recercat 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 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 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 2018 June 1 The role of the long-range exchange corrections in the description of electron delocalization in aromatic species
out url icon Recercat 2018 June 5 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 2017 July 5 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 2020 February 15 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 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 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 2017 January 1 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 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 2018 June 1 The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2
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