Adsorption and Destruction of the G-Series Nerve Agent Simulant Dimethyl Methylphosphonate on Zinc Oxide
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چکیده
منابع مشابه
Computational Study of the Adsorption of Trichlorophosphate, Dimethyl Methylphosphonate, and Sarin on Amorphous SiO2
Ab initio quantum chemical calculations have been performed to study the adsorption of trichlorophosphate, dimethyl methylphosphonate, and Sarin via hydrogen bonding to Si-OH groups on the amorphous SiO2 (a-SiO2) surface. Two SiO2 models are used: a small Si5O7H8 “cagelike” cluster and a larger Si21O56H28 structure designed to approximate the local environment in a-SiO2. In the latter case, reg...
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ژورنال
عنوان ژورنال: ACS Catalysis
سال: 2018
ISSN: 2155-5435,2155-5435
DOI: 10.1021/acscatal.8b02999