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FormatDateTitleAuthor
FormatDateTitleAuthor
out url icon Recercat 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
media icon DUGiMedia 2019 October 10 Cloenda de l’acte de graduació de la 12a promoció del Màster en Promoció de la Salut Solà i Puig, Miquel
media icon DUGiMedia 2010 July 8 Closing Solà i Puig, Miquel
doc icon DUGiDocs 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
out url icon Recercat 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
out url icon Recercat 2020 February 15 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
doc icon DUGiDocs 2013 August 22 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
out url icon Recercat 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
out url icon Recercat 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
doc icon DUGiDocs 2013 October 25 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
doc icon DUGiDocs 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
out url icon Recercat Complete σ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper (I) complex Poater Teixidor, Albert ; Solà i Puig, Miquel
out url icon Recercat Complete σ* intramolecular aromatic hydroxylation mechanism through O2 activation by a Schiff base macrocyclic dicopper (I) complex Poater Teixidor, Albert ; Solà i Puig, Miquel
doc icon DUGiDocs 2016 June 5 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.
out url icon Recercat 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.
out url icon Recercat 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.
out url icon Recercat 2018 June 5 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.
doc icon DUGiDocs 2018 May 7 Computational chemistry applied to hydrocarbon functionalization by iron catalysts, oxidation state characterization, and electrides design Postils Ribó, Verònica
out url icon Recercat 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
out url icon Recercat 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
out url icon Recercat 2018 June 5 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
doc icon DUGiDocs 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
doc icon DUGiDocs 2014 October 1 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
out url icon Recercat 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
out url icon Recercat 2018 June 5 A Computational Study of the Intermolecular [2+2+2] Cycloaddition of Acetylene and C60 Catalyzed by Wilkinson’s Catalyst Artigas Ruf, Albert ; Lledó Ponsati, Agustí ; Pla i Quintana, Anna ; Roglans i Ribas, Anna ; Solà i Puig, Miquel
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