(Q56991609)

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QM/MM modelling of the TS-1 catalyst using HPCx

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QM/MM modelling of the TS-1 catalyst using HPCx (English)

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Paul Sherwood

2

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Alexey A. Sokol

object named as

Alexey A. Sokol

series ordinal

3

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Richard Catlow

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5

object named as

C. Richard A. Catlow

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author name string

Judy To

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1

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Ian J. Bush

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4

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Huub J. J. van Dam

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6

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Samuel A. French

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7

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Martyn F. Guest

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8

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publication date

2006

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published in

Journal of Materials Chemistry

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volume

16

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issue

20

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page(s)

1919

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cites work

Chemical Bonding in XeF2, XeF4, KrF2, KrF4, RnF2, XeCl2, and XeBr2: From the Gas Phase to the Solid State

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https://api.crossref.org/works/10.1039%2FB601089J

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21 January 2018

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DOI

10.1039/B601089J

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(Q56991609)

QM/MM modelling of the TS-1 catalyst using HPCx

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