|
|
Calculation of Franck-Condon factors including anharmonicity: simulation of the C2 H4+ X̃2B 3u←C2 H4X̃1 Ag band in the photoelectron spectrum of ethylene |
Luis Luis, Josep Maria
; Torrent Sucarrat, Miquel
; Solà i Puig, Miquel
; Bishop, David M.
; Kirtman, Bernard
|
|
9 maig 2019 |
Cerimònia d’investidura de doctor honoris causa a Sovan Lek i Evert Jan Baerends |
Pineda, Jordi
; Solà i Puig, Miquel
; Swart, Marcel
; García-Berthou, Emili
; Salvi, Joaquim
; Lek, Sovan
; Baerends, Evert Jan
|
|
|
10 octubre 2019 |
Cloenda de l’acte de graduació de la 12a promoció del Màster en Promoció de la Salut |
Solà i Puig, Miquel
|
|
|
8 juliol 2010 |
Closing |
Solà i Puig, Miquel
|
|
1996 |
A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods |
Solà i Puig, Miquel
; Mestres i López, Jordi
; Carbó-Dorca, Ramon
; Duran i Portas, Miquel
|
|
|
|
A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods |
Solà i Puig, Miquel
; Mestres i López, Jordi
; Carbó-Dorca, Ramon
; Duran i Portas, Miquel
|
|
|
15 febrer 2020 |
A comparative analysis by means of quantum molecular similarity measures of density distributions derived from conventional ab initio and density functional methods |
Solà i Puig, Miquel
; Mestres i López, Jordi
; Carbó-Dorca, Ramon
; Duran i Portas, Miquel
|
|
|
|
Comparison between alkalimetal and group 11 transition metal halide and hydride tetramers: Molecular structure and bonding |
El Hamdi Lahfid, Majid
; Solà i Puig, Miquel
; Frenking, Gernot
; Poater i Teixidor, Jordi
|
|
|
22 agost 2013 |
Comparison between alkalimetal and group 11 transition metal halide and hydride tetramers: Molecular structure and bonding |
El Hamdi Lahfid, Majid
; Solà i Puig, Miquel
; Frenking, Gernot
; Poater i Teixidor, Jordi
|
|
|
|
A complete guide on the influence of metal clusters in the diels-alder regioselectivity of Ih-C80 endohedral metallofullerenes |
Garcia Borràs, Marc
; Osuna Oliveras, Sílvia
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
|
|
|
25 octubre 2013 |
A complete guide on the influence of metal clusters in the diels-alder regioselectivity of Ih-C80 endohedral metallofullerenes |
Garcia Borràs, Marc
; Osuna Oliveras, Sílvia
; Luis Luis, Josep Maria
; Swart, Marcel
; Solà i Puig, Miquel
|
|
|
|
Complete σ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper (I) complex |
Poater Teixidor, Albert
; Solà i Puig, Miquel
|
|
|
|
Complete σ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper (I) complex |
Poater Teixidor, Albert
; Solà i Puig, Miquel
|
|
|
2013 |
Complete σ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper (I) complex |
Poater Teixidor, Albert
; Solà i Puig, Miquel
|
|
|
|
Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting |
El Hamdi Lahfid, Majid
; Solà i Puig, Miquel
; Poater i Teixidor, Jordi
; Timoshkin, A.
|
|
|
|
Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting |
El Hamdi Lahfid, Majid
; Solà i Puig, Miquel
; Poater i Teixidor, Jordi
; Timoshkin, A.
|
|
|
5 juny 2018 |
Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting |
El Hamdi Lahfid, Majid
; Solà i Puig, Miquel
; Poater i Teixidor, Jordi
; Timoshkin, A.
|
|
|
5 juny 2016 |
Complexes of adamantine-based group 13 Lewis acids and superacids: bonding analysis and thermodynamics of hydrogen splitting |
El Hamdi Lahfid, Majid
; Solà i Puig, Miquel
; Poater i Teixidor, Jordi
; Timoshkin, A.
|
|
|
7 maig 2018 |
Computational chemistry applied to hydrocarbon functionalization by iron catalysts, oxidation state characterization, and electrides design |
Postils Ribó, Verònica
|
|
|
|
Computational Insight into the Mechanism of Alkane Hydroxylation by Non-heme Fe(PyTACN) Iron Complexes. Effects of the Substrate and Solvent |
Postils, Verònica
; Company Casadevall, Anna
; Solà i Puig, Miquel
; Costas Salgueiro, Miquel
; Luis Luis, Josep Maria
|
|
|
|
Computational Insight into the Mechanism of Alkane Hydroxylation by Non-heme Fe(PyTACN) Iron Complexes. Effects of the Substrate and Solvent |
Postils, Verònica
; Company Casadevall, Anna
; Solà i Puig, Miquel
; Costas Salgueiro, Miquel
; Luis Luis, Josep Maria
|
|
|
5 juny 2018 |
Computational Insight into the Mechanism of Alkane Hydroxylation by Non-heme Fe(PyTACN) Iron Complexes. Effects of the Substrate and Solvent |
Postils, Verònica
; Company Casadevall, Anna
; Solà i Puig, Miquel
; Costas Salgueiro, Miquel
; Luis Luis, Josep Maria
|
|
|
2015 |
Computational Insight into the Mechanism of Alkane Hydroxylation by Non-heme Fe(PyTACN) Iron Complexes. Effects of the Substrate and Solvent |
Postils Ribó, Verònica
; Company Casadevall, Anna
; Solà i Puig, Miquel
; Costas Salgueiro, Miquel
; Luis Luis, Josep Maria
|
|
|
|
Computational insight into Wilkinson’s complex catalyzed [2 + 2 + 2] cycloaddition mechanism leading to pyridine formation |
Torres Antón, Òscar
; Roglans i Ribas, Anna
; Pla i Quintana, Anna
; Luis Luis, Josep Maria
; Solà i Puig, Miquel
|
|
|
1 octubre 2014 |
Computational insight into Wilkinson’s complex catalyzed [2 + 2 + 2] cycloaddition mechanism leading to pyridine formation |
Torres Antón, Òscar
; Roglans i Ribas, Anna
; Pla i Quintana, Anna
; Luis Luis, Josep Maria
; Solà i Puig, Miquel
|
