Enllaços químics

Llistar Títols per Matèria "Enllaços químics"

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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
doc icon DUGiDocs 4 febrer 2011 Analysis of chemical bonding and aromaticity from electronic delocalization descriptors Feixas Geronès, Ferran
doc icon DUGiDocs 4 febrer 2011 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
out url icon Recercat The Atomic orbitals of the topological atom Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro
doc icon DUGiDocs juny 2013 The Atomic orbitals of the topological atom Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro
out url icon Recercat The Atomic orbitals of the topological atom Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro
doc icon DUGiDocs 17 abril 2016 Bonding description of the Harpoon mechanism Rodríguez Mayorga, Mauricio ; Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Solà i Puig, Miquel ; Matito i Gras, Eduard
out url icon Recercat Bonding description of the Harpoon mechanism Rodríguez Mayorga, Mauricio ; Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Solà i Puig, Miquel ; Matito i Gras, Eduard
doc icon DUGiDocs 7 març 2013 Bonding quandary in the [Cu3S2]3+ core: Insights from the analysis of domain averaged fermi holes and the local spin Ponec, Robert ; Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro
out url icon Recercat Bonding quandary in the [Cu3S2]3+ core: Insights from the analysis of domain averaged fermi holes and the local spin Ponec, Robert ; Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro
doc icon DUGiDocs 2012 Chemical bonding in supermolecular flowers Castro Aguilera, Abril Carolina ; Johansson, Mikael P. ; Merino, Gabriel ; Swart, Marcel
out url icon Recercat Chemical bonding in supermolecular flowers Castro Aguilera, Abril Carolina ; Johansson, Mikael P. ; Merino, Gabriel ; Swart, Marcel
doc icon DUGiDocs 2000 C-H···O H-bonded complexes: how does basis set superposition error change their potential-energy surfaces? Salvador Sedano, Pedro ; Simon i Rabasseda, Sílvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
out url icon Recercat C-H···O H-bonded complexes: how does basis set superposition error change their potential-energy surfaces? Salvador Sedano, Pedro ; Simon i Rabasseda, Sílvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
out url icon Recercat Communication: An approximation to Bader’s topological atom Salvador Sedano, Pedro ; Ramos-Cordoba, Eloy
doc icon DUGiDocs agost 2013 Communication: An approximation to Bader’s topological atom Salvador Sedano, Pedro ; Ramos-Cordoba, Eloy
out url icon Recercat Communication: An approximation to Bader’s topological atom Salvador Sedano, Pedro ; Ramos-Cordoba, Eloy
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 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.
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.
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