首页> Journal of computational chemistry> Adsorption and sequential thermal release of F2 , Cl2 , and Br2 molecules by a porous organic cage material (CC3-R): Molecular dynamics and grand-canonical Monte Carlo simulations.

Adsorption and sequential thermal release of F2 , Cl2 , and Br2 molecules by a porous organic cage material (CC3-R): Molecular dynamics and grand-canonical Monte Carlo simulations.

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第一作者： Zahra,Ghalami

第一单位： Faculty of Chemistry, Kharazmi University, Tehran, Iran.

作者： Zahra,Ghalami ^[1] ; Vanik,Ghoulipour ^[1] ; Ali Reza,Khanchi ^[2]

作者单位： Faculty of Chemistry, Kharazmi University, Tehran, Iran. ^[1] Nuclear Science and Technology Research Institute, AEOI, Tehran, Iran. ^[2]

关键词 CC3-R Knudsen diffusion porous organic cage separation of halogens molecules

DOI 10.1002/jcc.26142

PMID 31891419

发布时间 2020-02-19

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Journal of computational chemistry

2020年41卷9期

949-957页

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Journal of computational chemistry

2020年41卷9期

949-957页

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Adsorption and sequential thermal release of F<sub>2</sub> , Cl<sub>2</sub> , and Br<sub>2</sub> molecules by a porous organic cage material (CC3-R): Molecular dynamics and grand-canonical Monte Carlo simulations.

Journal of computational chemistry

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Adsorption and sequential thermal release of F<sub>2</sub> , Cl<sub>2</sub> , and Br<sub>2</sub> molecules by a porous organic cage material (CC3-R): Molecular dynamics and grand-canonical Monte Carlo simulations.

Journal of computational chemistry

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Journal of computational chemistry

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