|
|
(4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature |
MartÃnez, Juan Pablo
; Langa, Fernando
; Bickelhaupt, F. Matthias
; Osuna Oliveras, SÃlvia
; Solà i Puig, Miquel
|
|
|
|
(4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature |
MartÃnez, Juan Pablo
; Langa, Fernando
; Bickelhaupt, F. Matthias
; Osuna Oliveras, SÃlvia
; Solà i Puig, Miquel
|
|
|
5 juny 2018 |
(4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature |
MartÃnez López, Juan Pablo
; Langa, Fernando
; Bickelhaupt, F. Matthias
; Osuna Oliveras, SÃlvia
; Solà i Puig, Miquel
|
|
|
15 febrer 2020 |
(4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature |
MartÃnez López, Juan Pablo
; Langa, Fernando
; Bickelhaupt, F. Matthias
; Osuna Oliveras, SÃlvia
; Solà i Puig, Miquel
|
|
2016 |
(4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature |
MartÃnez López, Juan Pablo
; Langa, Fernando
; Bickelhaupt, F. Matthias
; Osuna Oliveras, SÃlvia
; Solà i Puig, Miquel
|
|
|
2004 |
Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization |
Theodoor De Jong, G.
; Solà i Puig, Miquel
; Visscher, Lucas T.
; Bickelhaupt, Friedrich Matthias
|
|
|
|
Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization |
Theodoor De Jong, G.
; Solà i Puig, Miquel
; Visscher, Lucas T.
; Bickelhaupt, F. Matthias
|
|
|
|
Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization |
Theodoor De Jong, G.
; Solà i Puig, Miquel
; Visscher, Lucas T.
; Bickelhaupt, F. Matthias
|
|
|
5 juny 2018 |
Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization |
Theodoor De Jong, G.
; Solà i Puig, Miquel
; Visscher, Lucas T.
; Bickelhaupt, F. Matthias
|
|
|
|
Acidic C-H bond as a proton donor in excited state intramolecular proton transfer reactions |
Stasyuk, Anton J.
; Cyrański, Michał K.
; Gryko, Daniel T.
; Solà i Puig, Miquel
|
|
|
10 març 2015 |
Acidic C-H bond as a proton donor in excited state intramolecular proton transfer reactions |
Stasyuk, Anton J.
; Cyrański, Michał K.
; Gryko, Daniel T.
; Solà i Puig, Miquel
|
|
|
|
All-metal aromatic clusters M4 2- (M = B, Al, and Ga). Are π-electrons distortive or not? |
Poater i Teixidor, Jordi
; Feixas Geronès, Ferran
; Bickelhaupt, F. Matthias
; Solà i Puig, Miquel
|
|
|
2011 |
All-metal aromatic clusters M4 2- (M = B, Al, and Ga). Are π-electrons distortive or not? |
Poater i Teixidor, Jordi
; Feixas Geronès, Ferran
; Bickelhaupt, F. Matthias
; Solà i Puig, Miquel
|
|
|
|
Analysis of the aromaticity of five-membered heterometallacycles containing Os, Ru, Rh, and Ir |
Islas, Rafael
; Poater i Teixidor, Jordi
; Solà i Puig, Miquel
|
|
|
2014 |
Analysis of the aromaticity of five-membered heterometallacycles containing Os, Ru, Rh, and Ir |
Islas, Rafael
; Poater i Teixidor, Jordi
; Solà i Puig, Miquel
|
|
|
4 febrer 2011 |
Analysis of chemical bonding and aromaticity from electronic delocalization descriptors |
Feixas Geronès, Ferran
|
|
|
|
Analysis of chemical bonding and aromaticity from electronic delocalization descriptors |
Feixas Geronès, Ferran
|
|
|
2016 |
Analysis of a Compound Class with Triplet States Stabilized by Potentially Baird Aromatic [10] Annulenyl Dicationic Rings |
Jorner, Kjell
; Feixas Geronès, Ferran
; Ayub, Rabia
; Lindh, Roland
; Solà i Puig, Miquel
; Ottosson, Henrik
|
|
|
|
Analysis of a Compound class with Triplet States Stabilized by Potentially Baird-Aromatic [10] Annulenyl Dicationic Rings |
Jorner, Kjell
; Feixas Geronès, Ferran
; Ayub, Rabia
; Lindh, Roland
; Solà i Puig, Miquel
; Ottosson, Henrik
|
|
|
5 juny 2018 |
Analysis of a Compound class with Triplet States Stabilized by Potentially Baird-Aromatic [10] Annulenyl Dicationic Rings |
Jorner, Kjell
; Feixas Geronès, Ferran
; Ayub, Rabia
; Lindh, Roland
; Solà i Puig, Miquel
; Ottosson, Henrik
|
|
|
17 febrer 2016 |
Analysis of a Compound class with Triplet States Stabilized by Potentially Baird-Aromatic [10] Annulenyl Dicationic Rings |
Jorner, Kjell
; Feixas Geronès, Ferran
; Ayub, Rabia
; Lindh, Roland
; Solà i Puig, Miquel
; Ottosson, Henrik
|
|
|
|
An analysis of the isomerization energies of 1,2-/1,3-diazacyclobutadiene, pyrazole/imidazole, and pyridazine/pyrimidine with the turn-upside-down approach |
El Hamdi Lahfid, Majid
; Tiznado, William
; Poater i Teixidor, Jordi
; Solà i Puig, Miquel
|
|
|
4 novembre 2011 |
An analysis of the isomerization energies of 1,2-/1,3-diazacyclobutadiene, pyrazole/imidazole, and pyridazine/pyrimidine with the turn-upside-down approach |
El Hamdi Lahfid, Majid
; Tiznado, William
; Poater i Teixidor, Jordi
; Solà i Puig, Miquel
|
|
|
|
Analysis of the relative stabilities of ortho, meta, and para MClY(XC 4H4)(PH3)2 heterometallabenzenes (M = Rh, Ir; X = N, P; Y = Cl and M = Ru, Os; X = N, P; Y = CO) |
El Hamdi Lahfid, Majid
; El Bakouri, Ouissam
; Salvador Sedano, Pedro
; Abdelouahid, Ben Ali
; El Begrani, Mohamed Soussi
; Poater i Teixidor, Jordi
; Solà i Puig, Miquel
|
|
|
9 setembre 2013 |
Analysis of the relative stabilities of ortho, meta, and para MClY(XC 4H4)(PH3)2 heterometallabenzenes (M = Rh, Ir; X = N, P; Y = Cl and M = Ru, Os; X = N, P; Y = CO) |
El Hamdi Lahfid, Majid
; El Bakouri, Ouissam
; Salvador Sedano, Pedro
; Abdelouahid, Ben Ali
; El Begrani, Mohamed Soussi
; Poater i Teixidor, Jordi
; Solà i Puig, Miquel
|
