Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts.

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Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts.

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2016 nî lūn-bûn

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2016年の論文

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年学术文章

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2016年學術文章

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2016年學術文章

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Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts.

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Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts.

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Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts.

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Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts.

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Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts.

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Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts.

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P1476

Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts

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P2093

Alexander J O'Malley

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C R A Catlow

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P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Density-functional thermochemistry. III. The role of exact exchange

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

Accurate and simple analytic representation of the electron-gas correlation energy

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Conversion of methanol to hydrocarbons: how zeolite cavity and pore size controls product selectivity.

Unraveling the reaction mechanisms governing methanol-to-olefins catalysis by theory and experiment.

The ONIOM Method and Its Applications.

Advances in theory and their application within the field of zeolite chemistry.

Quantum chemical modeling of zeolite-catalyzed methylation reactions: toward chemical accuracy for barriers.

P304

235-255

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P31

scholarly article

P356

10.1039/C6FD00010J

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P478

188

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P50

Alexey A. Sokol

Andrew J Logsdail

P577

2016-07-01T00:00:00Z

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P698

27136967

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