Computational characterization of the internal bonding and solvation structure for [Nb10O28]aq6-.

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Computational characterization of the internal bonding and solvation structure for [Nb10O28]aq6-.

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2013 nî lūn-bûn

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2013年学术文章

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Computational characterization ...... n structure for [Nb10O28]aq6-.

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Computational characterization ...... n structure for [Nb10O28]aq6-.

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Computational characterization ...... n structure for [Nb10O28]aq6-.

@en

Computational characterization ...... n structure for [Nb10O28]aq6-.

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Computational characterization ...... n structure for [Nb10O28]aq6-.

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Computational characterization ...... n structure for [Nb10O28]aq6-.

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P1476

Computational characterization ...... n structure for [Nb10O28]aq6-.

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P2093

Benjamin E Hanken

http://www.w3.org/2001/XMLSchema#string

Mark Asta

http://www.w3.org/2001/XMLSchema#string

William H Casey

http://www.w3.org/2001/XMLSchema#string

P2860

From ultrasoft pseudopotentials to the projector augmented-wave method

Generalized Gradient Approximation Made Simple

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set

Projector augmented-wave method

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

Formation, isomerization, and derivatization of Keggin tungstoaluminates.

Rates of water exchange for two cobalt(II) heteropolyoxotungstate compounds in aqueous solution.

Water exchange reactivity and stability of cobalt polyoxometalates under catalytically relevant pH conditions: insight into water oxidation catalysis.

Structure, properties and reactivity of polyoxometalates: a theoretical perspective.

P304

20929-20936

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P31

scholarly article

P356

10.1039/C3CP53574F

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P407

English

P433

http://www.w3.org/2001/XMLSchema#string

P478

http://www.w3.org/2001/XMLSchema#string

P577

2013-12-01T00:00:00Z

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P698

24201903

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