Listing items by Author "Solà i Puig, Miquel"

388 items found

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out url icon Recercat (4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature Martínez, Juan Pablo ; Langa, Fernando ; Bickelhaupt, F. Matthias ; Osuna Oliveras, Sílvia ; Solà i Puig, Miquel
out url icon Recercat (4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature Martínez, Juan Pablo ; Langa, Fernando ; Bickelhaupt, F. Matthias ; Osuna Oliveras, Sílvia ; Solà i Puig, Miquel
doc icon DUGiDocs 2016 (4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature Martínez López, Juan Pablo ; Langa, Fernando ; Bickelhaupt, F. Matthias ; Osuna Oliveras, Sílvia ; Solà i Puig, Miquel
out url icon Recercat 2018 June 5 (4+2) and (2+2) Cycloadditions of Benzyne to C60 and Zig-Zag Single-Walled Carbon Nanotubes: The Effect of the Curvature Martínez López, Juan Pablo ; Langa, Fernando ; Bickelhaupt, F. Matthias ; Osuna Oliveras, Sílvia ; Solà i Puig, Miquel
doc icon DUGiDocs 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
out url icon Recercat 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
out url icon Recercat 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
out url icon Recercat 2018 June 5 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
doc icon DUGiDocs 2015 March 10 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
out url icon Recercat 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
out url icon Recercat 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
doc icon DUGiDocs 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
doc icon DUGiDocs 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
out url icon Recercat Analysis of the aromaticity of five-membered heterometallacycles containing Os, Ru, Rh, and Ir Islas, Rafael ; Poater i Teixidor, Jordi ; Solà i Puig, Miquel
doc icon TDX 2011 February 4 Analysis of chemical bonding and aromaticity from electronic delocalization descriptors Feixas Geronès, Ferran
out url icon Recercat Analysis of chemical bonding and aromaticity from electronic delocalization descriptors Feixas Geronès, Ferran
doc icon DUGiDocs 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
out url icon Recercat 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
out url icon Recercat 2018 June 5 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
doc icon DUGiDocs 2016 Analysis of a Compound 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
out url icon Recercat 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
doc icon DUGiDocs 2011 November 4 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
doc icon DUGiDocs 2013 September 9 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
out url icon Recercat 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
doc icon DUGiDocs 2002 Are the maximum hardness and minimum polarizability principles always obeyed in nontotally symmetric vibrations? Torrent Sucarrat, Miquel ; Luis Luis, Josep Maria ; Duran i Portas, Miquel ; Solà i Puig, Miquel
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