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Mechanism of Catalytic Effect of Water Clusters on the Oxidation of Phosphine Gas |
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| Authors: | Yuan Li Li Kai Song Xin Sun Huaying Ning Ping Sun Xin |
| Institution: | 1.Faculty of Environmental Science and Engineering, Kunming University of Science and Technology, 650500, Kunming, P. R. China ;2.Guangdong Provincial Key Laboratory of Environmental Pollution Control and Remediation Technology, Sun Yat-sen University, P. R. China ;3.Yunnan Institute for Food and Drug Control, 650000, Kunming, Haizhu, Guangzhou, Guangdong, P. R. China ; |
| Abstract: | Russian Journal of Physical Chemistry A - The mechanism of PH3 oxidation is investigated at B3LYP/6-311+g (d, p) level using density functional theory calculation with n = 0–6 water molecules... |
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