Deleterious effects of long-range self-repulsion on the density functional description of O2 sticking on aluminum.
about
First principles study of adsorption of O2 on Al surface with hybrid functionals.Koopmans' springs to life.Origin of the energy barrier to chemical reactions of O2 on Al(111): evidence for charge transfer, not spin selection.Dissociative Chemisorption of O2 on Al(111): Dynamics on a Correlated Wave-Function-Based Potential Energy Surface.
P2860
Deleterious effects of long-range self-repulsion on the density functional description of O2 sticking on aluminum.
description
2009 nî lūn-bûn
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2009年の論文
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name
Deleterious effects of long-ra ...... on of O2 sticking on aluminum.
@en
Deleterious effects of long-ra ...... on of O2 sticking on aluminum.
@nl
type
label
Deleterious effects of long-ra ...... on of O2 sticking on aluminum.
@en
Deleterious effects of long-ra ...... on of O2 sticking on aluminum.
@nl
prefLabel
Deleterious effects of long-ra ...... on of O2 sticking on aluminum.
@en
Deleterious effects of long-ra ...... on of O2 sticking on aluminum.
@nl
P356
P1476
Deleterious effects of long-ra ...... on of O2 sticking on aluminum.
@en
P2093
Ester Livshits
P304
P356
10.1021/JP900892R
P407
P577
2009-07-01T00:00:00Z