|
|
Energetics of charges in organic semiconductors and at organic donor-acceptor interfaces |
Gorczak, Natalie
; Swart, Marcel
; Grozema, Ferdinand C.
|
|
2014 May 7 |
Energetics of charges in organic semiconductors and at organic donor-acceptor interfaces |
Gorczak, Natalie
; Swart, Marcel
; Grozema, Ferdinand C.
|
|
|
2021 December 10 |
Enzymatic and bioinspired iron oxidation chemistry: a computational study |
D’Amore, Lorenzo
|
|
|
|
The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity |
Garcia BorrĂ s, Marc
; Osuna Oliveras, SĂlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ i Puig, Miquel
|
|
|
|
The Exohedral Diels–Alder Reactivity of the Titanium Carbide Endohedral Metallofullerene Ti2C2@D3h-C78: Comparison with D3h-C78 and M3N@D3h-C78 (M=Sc and Y) Reactivity |
Garcia BorrĂ s, Marc
; Osuna Oliveras, SĂlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ i Puig, Miquel
|
|
|
|
Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino) benzaldehyde |
Čobeljić, Božidar
; Pevec, Andrej
; Stepanović, Stepan
; Spasojević, Vojislav
; Milenković, Milica
; Turel, Iztok
; Swart, Marcel
; Gruden-Pavlović, Maja
; Adaila, Kawther
; Anelković, Katarina
|
|
|
|
Experimental and theoretical investigation of octahedral and square-planar isothiocyanato complexes of Ni(II) with acylhydrazones of 2-(diphenylphosphino) benzaldehyde |
Čobeljić, Božidar
; Pevec, Andrej
; Stepanović, Stepan
; Spasojević, Vojislav
; Milenković, Milica
; Turel, Iztok
; Swart, Marcel
; Gruden-Pavlović, Maja
; Adaila, Kawther
; Andjelković, Katarina
|
|
|
|
Exploring the potential energy surface of E2P4 clusters (E=Group 13 element): The quest for inverse carbon-free sandwiches |
Castro Aguilera, Abril Carolina
; Osorio, Edison
; Cabellos, José Luis
; Cerpa, Erick
; Matito i Gras, Eduard
; SolĂ i Puig, Miquel
; Swart, Marcel
; Merino, Gabriel
|
|
|
|
Exploring the potential energy surface of E2P4 clusters (E=Group 13 element): The quest for inverse carbon-free sandwiches |
Castro Aguilera, Abril Carolina
; Osorio, Edison
; Cabellos, José Luis
; Cerpa, Erick
; Matito i Gras, Eduard
; SolĂ i Puig, Miquel
; Swart, Marcel
; Merino, Gabriel
|
|
|
|
The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes |
Garcia BorrĂ s, Marc
; Romero Rivera, Adrián
; Osuna Oliveras, SĂlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ i Puig, Miquel
|
|
|
|
The Frozen Cage Model: A Computationally Low-Cost Tool for Predicting the Exohedral Regioselectivity of Cycloaddition Reactions Involving Endohedral Metallofullerenes |
Garcia BorrĂ s, Marc
; Romero Rivera, Adrián
; Osuna Oliveras, SĂlvia
; Luis Luis, Josep Maria
; Swart, Marcel
; SolĂ i Puig, Miquel
|
|
|
|
Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster |
Osuna Oliveras, SĂlvia
; Valencia, RamĂłn
; RodrĂguez Fortea, Antonio
; Swart, Marcel
; SolĂ i Puig, Miquel
; Poblet, Josep M.
|
|
|
|
Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster |
Osuna Oliveras, SĂlvia
; Valencia, Ramon
; RodrĂguez Fortea, Antonio
; Swart, Marcel
; SolĂ i Puig, Miquel
; Poblet, Josep M.
|
|
|
|
Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M3N@C80 (M=Sc, Lu, Gd): The D5h versus Ih Isomer and the Influence of the Metal Cluster |
Osuna Oliveras, SĂlvia
; Valencia, Ramon
; RodrĂguez Fortea, Antonio
; Swart, Marcel
; SolĂ i Puig, Miquel
; Poblet, Josep M.
|
|
|
|
Indenyl effect due to metal slippage? Computational exploration of rhodium-catalyzed acetylene [2+2+2] cyclotrimerization |
Orian, Laura
; Swart, Marcel
; Bickelhaupt, F. Matthias
|
|
|
|
Indenyl effect due to metal slippage? Computational exploration of rhodium-catalyzed acetylene [2+2+2] cyclotrimerization |
Orian, Laura
; Swart, Marcel
; Bickelhaupt, F. Matthias
|
|
|
|
The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairs |
Castro Aguilera, Abril Carolina
; Swart, Marcel
; Guerra, CĂ©lia Fonseca
|
|
|
|
The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairs |
Castro Aguilera, Abril Carolina
; Swart, Marcel
; Guerra, CĂ©lia Fonseca
|
|
|
|
The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A-T and A-U base pairs |
Castro Aguilera, Abril Carolina
; Swart, Marcel
; Guerra, CĂ©lia Fonseca
|
|
|
|
Intramolecular halogen-halogen bonds? |
Johansson, Mikael P.
; Swart, Marcel
|
|
|
|
Intramolecular halogen-halogen bonds? |
Johansson, Mikael P.
; Swart, Marcel
|
|
|
2013 |
Intramolecular halogen-halogen bonds? |
Johansson, Mikael P.
; Swart, Marcel
|
|
|
2019 May 9 |
Laudatio de l’acte d’atorgament del tĂtol de Doctor Honoris causa de la Universitat de Girona a Evert Jan Baerends |
SolĂ i Puig, Miquel
; Swart, Marcel
|
|
|
|
Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes |
Garcia BorrĂ s, Marc
; Osuna Oliveras, SĂlvia
; Swart, Marcel
; Luis Luis, Josep Maria
; SolĂ i Puig, Miquel
|
|
|
|
Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes |
Garcia BorrĂ s, Marc
; Osuna Oliveras, SĂlvia
; Swart, Marcel
; Luis Luis, Josep Maria
; SolĂ i Puig, Miquel
|
