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Density-functional expansion methods: Grand challengesDensity-functional expansion methods: generalization of the auxiliary basis.Universal tight binding model for chemical reactions in solution and at surfaces. I. Organic molecules.Inelastic electron injection in a water chain.Self consistent tight binding model for dissociable water.Parametrization scheme with accuracy and transferability for tight-binding electronic structure calculations with extended Hückel approximation and molecular dynamics simulations.Universal tight binding model for chemical reactions in solution and at surfaces. III. Stoichiometric and reduced surfaces of titania and the adsorption of water.Universal tight binding model for chemical reactions in solution and at surfaces. II. Water.
P2860
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P2860
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2011 nî lūn-bûn
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2011年の論文
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2011年学术文章
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name
A tight binding model for water.
@en
A tight binding model for water.
@nl
type
label
A tight binding model for water.
@en
A tight binding model for water.
@nl
prefLabel
A tight binding model for water.
@en
A tight binding model for water.
@nl
P2860
P356
P1476
A tight binding model for water.
@en
P2093
A T Paxton
J J Kohanoff
P2860
P304
P356
10.1063/1.3523983
P407
P577
2011-01-01T00:00:00Z