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Ab Initio Molecular Dynamics Simulation Diffusion Mechanism of .OH Radical in Liquid Water

Ab Initio Molecular Dynamics Simulation Diffusion Mechanism of .OH Radical in Liquid Water
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摘要 Water occupies over 70% in a cell and clouds cover approximately 60% of the earth's surface. The radiation of high-energy particles (γray, heavy ions, election) on liquid water generate copious quantities hydroxyl radial (OH). The OH which is open shell radial species initiates many of the cycle of the chemistry of atmosphere and governs many chemical and biological processes in nature. Due to difficulties in direct measurements Water occupies over 70% in a cell and clouds cover approximately 60% of the earth's surface. The radiation of high-energy particles (7 ray, heavy ions, election) on liquid water generate copious quantities hydroxyl radial (.OH). The -OH which is open shell radial species initiates many of the cycle of the chemistry of atmosphere and governs many chemical and biological processes in nature[1]. Due to difficulties in direct measurements of fast diffusion in water (time scales faster than 1 ps),
出处 《近代物理研究所和兰州重离子加速器实验室年报:英文版》 2004年第1期30-30,共1页 IMP & HIRFL Annual Report
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