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2004 |
Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization |
Theodoor De Jong, G.
; SolĂ i Puig, Miquel
; Visscher, Lucas T.
; Bickelhaupt, Friedrich Matthias
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Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization |
Theodoor De Jong, G.
; SolĂ i Puig, Miquel
; Visscher, Lucas T.
; Bickelhaupt, F. Matthias
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Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization |
Theodoor De Jong, G.
; SolĂ i Puig, Miquel
; Visscher, Lucas T.
; Bickelhaupt, F. Matthias
|
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2018 June 1 |
Ab initio benchmark study for the oxidative addition of CH4 to Pd: importance of basis-set flexibility and polarization |
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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.
; SolĂ i Puig, Miquel
; Visscher, Lucas T.
; Bickelhaupt, F. Matthias
|
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2011 February 4 |
Analysis of chemical bonding and aromaticity from electronic delocalization descriptors |
Feixas Geronès, Ferran
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2011 February 4 |
Analysis of chemical bonding and aromaticity from electronic delocalization descriptors |
Feixas Geronès, Ferran
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Analysis of chemical bonding and aromaticity from electronic delocalization descriptors |
Feixas Geronès, Ferran
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The Atomic orbitals of the topological atom |
Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
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The Atomic orbitals of the topological atom |
Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
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2018 June 1 |
The Atomic orbitals of the topological atom |
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2018 June 5 |
The Atomic orbitals of the topological atom |
Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
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2013 June |
The Atomic orbitals of the topological atom |
Ramos Cordoba, Eloy
; Salvador Sedano, Pedro
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Bonding description of the Harpoon mechanism |
RodrĂguez Mayorga, Mauricio
; Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
; SolĂ i Puig, Miquel
; Matito i Gras, Eduard
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2020 February 15 |
Bonding description of the Harpoon mechanism |
RodrĂguez Mayorga, Mauricio
; Ramos-Cordoba, Eloy
; Salvador Sedano, Pedro
; SolĂ i Puig, Miquel
; Matito i Gras, Eduard
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2016 April 17 |
Bonding description of the Harpoon mechanism |
RodrĂguez Mayorga, Mauricio
; Ramos Cordoba, Eloy
; Salvador Sedano, Pedro
; SolĂ i Puig, Miquel
; Matito i Gras, Eduard
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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
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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
|
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Chemical bonding in supermolecular flowers |
Castro Aguilera, Abril Carolina
; Johansson, Mikael P.
; Merino, Gabriel
; Swart, Marcel
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2012 |
Chemical bonding in supermolecular flowers |
Castro Aguilera, Abril Carolina
; Johansson, Mikael P.
; Merino, Gabriel
; Swart, Marcel
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2000 |
C-H···O H-bonded complexes: how does basis set superposition error change their potential-energy surfaces? |
Salvador Sedano, Pedro
; Simon i Rabasseda, SĂlvia
; Duran i Portas, Miquel
; Dannenberg, J. J.
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C-H···O H-bonded complexes: how does basis set superposition error change their potential-energy surfaces? |
Salvador Sedano, Pedro
; Simon i Rabasseda, SĂlvia
; Duran i Portas, Miquel
; Dannenberg, J. J.
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Communication: An approximation to Bader’s topological atom |
Salvador Sedano, Pedro
; Ramos-Cordoba, Eloy
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Communication: An approximation to Bader’s topological atom |
Salvador Sedano, Pedro
; Ramos-Cordoba, Eloy
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2018 June 1 |
Communication: An approximation to Bader’s topological atom |
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