Chemical bonds

Listing items with Subject "Chemical bonds"

79 items found

Showing titles from 0 to 25:

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FormatDateTitleAuthor
FormatDateTitleAuthor
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. ; Sol脿 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. ; Sol脿 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. ; Sol脿 i Puig, Miquel ; Visscher, Lucas T. ; Bickelhaupt, F. Matthias
out url icon Recercat 2018 June 1 Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization
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. ; Sol脿 i Puig, Miquel ; Visscher, Lucas T. ; Bickelhaupt, F. Matthias
doc icon DUGiDocs 2011 February 4 Analysis of chemical bonding and aromaticity from electronic delocalization descriptors Feixas Geron猫s, Ferran
doc icon DUGiDocs 2011 February 4 Analysis of chemical bonding and aromaticity from electronic delocalization descriptors Feixas Geron猫s, Ferran
out url icon Recercat Analysis of chemical bonding and aromaticity from electronic delocalization descriptors Feixas Geron猫s, Ferran
out url icon Recercat The Atomic orbitals of the topological atom Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro
doc icon DUGiDocs 2013 June 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
out url icon Recercat 2018 June 1 The Atomic orbitals of the topological atom
out url icon Recercat 2018 June 5 The Atomic orbitals of the topological atom Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro
doc icon DUGiDocs 2016 April 17 Bonding description of the Harpoon mechanism Rodr铆guez Mayorga, Mauricio ; Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Sol脿 i Puig, Miquel ; Matito i Gras, Eduard
out url icon Recercat Bonding description of the Harpoon mechanism Rodr铆guez Mayorga, Mauricio ; Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Sol脿 i Puig, Miquel ; Matito i Gras, Eduard
doc icon DUGiDocs 2013 March 7 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路路路O H-bonded complexes: how does basis set superposition error change their potential-energy surfaces? Salvador Sedano, Pedro ; Simon i Rabasseda, S铆lvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
out url icon Recercat C-H路路路O H-bonded complexes: how does basis set superposition error change their potential-energy surfaces? Salvador Sedano, Pedro ; Simon i Rabasseda, S铆lvia ; Duran i Portas, Miquel ; Dannenberg, J. J.
out url icon Recercat Communication: An approximation to Bader鈥檚 topological atom Salvador Sedano, Pedro ; Ramos-Cordoba, Eloy
doc icon DUGiDocs 2013 August Communication: An approximation to Bader鈥檚 topological atom Salvador Sedano, Pedro ; Ramos-Cordoba, Eloy
out url icon Recercat Communication: An approximation to Bader鈥檚 topological atom Salvador Sedano, Pedro ; Ramos-Cordoba, Eloy
out url icon Recercat 2018 June 1 Communication: An approximation to Bader鈥檚 topological atom
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