|
|
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
|
|
|
9 maig 2019 |
Laudatio de l’acte d’atorgament del títol de Doctor Honoris causa de la Universitat de Girona a Evert Jan Baerends |
Solà i Puig, Miquel
; Swart, Marcel
|
|
|
|
Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes |
Garcia Borràs, Marc
; Osuna Oliveras, Sílvia
; Swart, Marcel
; Luis Luis, Josep Maria
; Solà i Puig, Miquel
|
|
|
2013 |
Maximum aromaticity as a guiding principle for the most suitable hosting cages in endohedral metallofullerenes |
Garcia Borràs, Marc
; Osuna Oliveras, Sílvia
; Swart, Marcel
; Luis Luis, Josep Maria
; Solà i Puig, Miquel
|
|
|
|
Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model |
Jensen, L.
; Swart, Marcel
; Van Duijnen, Piet th.
|
|
|
2005 |
Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model |
Jensen, L.
; Swart, Marcel
; Duijnen, Petrus Theodorus van
|
|
|
5 juny 2018 |
Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model |
Jensen, L.
; Swart, Marcel
; Duijnen, Petrus Theodorus van
|
|
|
15 febrer 2020 |
Microscopic and macroscopic polarization within a combined quantum mechanics and molecular mechanics model |
Jensen, L.
; Swart, Marcel
; Duijnen, Petrus Theodorus van
|
|
|
18 octubre 2021 |
Modulation of a μ-1,2-Peroxo Dicopper(II) Intermediate by Strong Interaction with Alkali Metal Ions |
Brinkmeier, Alexander
; Dalle, Kristian E.
; D’Amore, Lorenzo
; Schulz, Roland A.
; Dechert, Sebastian
; Demeshko, Serhiy
; Swart, Marcel
; Meyer, Franc
|
|
|
19 setembre 2023 |
Multiscalar strategies for the characterization of engineered P450 enzymes |
Soler i Parpal, Jordi
|
|
|
|
A new all-round density functional based on spin states and SN2 barriers |
Swart, Marcel
; Solà i Puig, Miquel
; Bickelhaupt, F. Matthias
|
|
|
|
A new all-round density functional based on spin states and SN2 barriers |
Swart, Marcel
; Solà i Puig, Miquel
; Bickelhaupt, F. Matthias
|
|
|
5 juny 2018 |
A new all-round density functional based on spin states and SN2 barriers |
Swart, Marcel
; Solà i Puig, Miquel
; Bickelhaupt, F. Matthias
|
|
|
15 febrer 2020 |
A new all-round density functional based on spin states and SN2 barriers |
Swart, Marcel
; Solà i Puig, Miquel
; Bickelhaupt, F. Matthias
|
|
|
2009 |
A new all-round density functional based on spin states and SN2 barriers |
Swart, Marcel
; Solà i Puig, Miquel
; Bickelhaupt, F. Matthias
|
|
|
|
A new family of hybrid density functionals |
Swart, Marcel
|
|
|
2013 |
A new family of hybrid density functionals |
Swart, Marcel
|
|
|
|
Rapid determination of polarizability exaltation in fullerene-based nanostructures |
Swart, Marcel
; Van Duijnen, Piet th.
|
|
|
7 gener 2015 |
Rapid determination of polarizability exaltation in fullerene-based nanostructures |
Swart, Marcel
; Duijnen, Petrus Theodorus van
|
|
|
|
Reaction mechanisms for the formation of mono-and dipropylene glycol from the propylene oxide hydrolysis over ZSM-5 zeolite |
Horbatenko, Yevhen
; Pérez, Juan Pedro
; Hernández, Pedro
; Swart, Marcel
; Solà i Puig, Miquel
|
|
|
11 setembre 2014 |
Reaction mechanisms for the formation of mono-and dipropylene glycol from the propylene oxide hydrolysis over ZSM-5 zeolite |
Horbatenko, Yevhen
; Pérez, Juan Pedro
; Hernández, Pedro
; Swart, Marcel
; Solà i Puig, Miquel
|
|
|
|
The reactivity of endohedral fullerenes: What can be learnt from computational studies? |
Osuna Oliveras, Sílvia
; Swart, Marcel
; Solà i Puig, Miquel
|
|
|
2011 |
The reactivity of endohedral fullerenes: What can be learnt from computational studies? |
Osuna Oliveras, Sílvia
; Swart, Marcel
; Solà i Puig, Miquel
|
