Llistar Títols per Autor "Solà i Puig, Miquel"

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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, Juan Pablo ; Langa, Fernando ; Bickelhaupt, Friedrich 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, Friedrich 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, Friedrich Matthias
doc icon DUGiDocs 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
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, Friedrich 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
doc icon TDX 4 febrer 2011 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
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
doc icon DUGiDocs 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
doc icon DUGiDocs 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
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
out url icon Recercat 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
out url icon Recercat The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization Matito i Gras, Eduard ; Duran i Portas, Miquel ; Solà i Puig, Miquel
doc icon DUGiDocs 2005 The aromatic fluctuation index (FLU): a new aromaticity index based on electron delocalization Matito i Gras, Eduard ; Duran i Portas, Miquel ; Solà i Puig, Miquel
doc icon DUGiDocs 2013 Aromaticity as the driving force for the stability of non-IPR endohedral metallofullerene Bingel-Hirsch adducts Garcia Borràs, Marc ; Osuna Oliveras, Sílvia ; Swart, Marcel ; Luis Luis, Josep Maria ; Echegoyen, Luis A. ; Solà i Puig, Miquel
doc icon DUGiDocs 2014 Aromaticity and Magnetic Properties of 1-and 2-Indenones and Their Aza Derivatives Poater i Teixidor, Jordi ; Solà i Puig, Miquel ; Alkorta, Ibon ; Elguero, Jose
doc icon DUGiDocs 2006 Aromaticity measures from Fuzzy-atom Bond Orders (FBO). The aromatic fluctuation (FLU) and the para-delocalization (PDI) indexes Matito i Gras, Eduard ; Salvador Sedano, Pedro ; Duran i Portas, Miquel ; Solà i Puig, Miquel
doc icon DUGiDocs 1 maig 2013 Aromatic properties of 8-hydroxyquinoline and its metal complexes Zborowski, Krzysztof K. ; Solà i Puig, Miquel ; Poater i Teixidor, Jordi ; Proniewicz, Leonard M.
doc icon DUGiDocs 2012 An Assessment of the Validity of the Maximum Hardness Principle in Chemical Reactions Poater i Teixidor, Jordi ; Swart, Marcel ; Solà i Puig, Miquel
doc icon DUGiDocs 2005 Basis set effects on the energy and hardness profiles of the hydrogen fluoride dimer Torrent Sucarrat, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
out url icon Recercat Basis set effects on the energy and hardness profiles of the hydrogen fluoride dimer Torrent Sucarrat, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Solà i Puig, Miquel
doc icon DUGiDocs 2004 Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
out url icon Recercat Basis set and electron correlation effects on initial convergence for vibrational nonlinear optical properties of conjugated organic molecules Torrent Sucarrat, Miquel ; Solà i Puig, Miquel ; Duran i Portas, Miquel ; Luis Luis, Josep Maria ; Kirtman, Bernard
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