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Modeling the interaction of nitrate anions with ozone and atmospheric moisture

Modeling the interaction of nitrate anions with ozone and atmospheric moisture
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摘要 The molecular dynamics method is used to investigate the interaction between one-six nitrate anions and water clusters absorbing six ozone molecules. The infrared(IR) absorption and reflection spectra are reshaped significantly, and new peaks appear at Raman spectra due to the addition of ozone and nitrate anions to the disperse water system. After ozone and nitrate anions are captured, the average(in frequency) IR reflection coefficient of the water disperse system increased drastically and the absorption coefficient fell. The molecular dynamics method is used to investigate the interaction between one-six nitrate anions and water clusters absorbing six ozone molecules. The infrared(IR) absorption and reflection spectra are reshaped significantly, and new peaks appear at Raman spectra due to the addition of ozone and nitrate anions to the disperse water system. After ozone and nitrate anions are captured, the average(in frequency) IR reflection coefficient of the water disperse system increased drastically and the absorption coefficient fell.
作者 A.Y.Galashev
出处 《Chinese Physics B》 SCIE EI CAS CSCD 2015年第10期160-165,共6页 中国物理B(英文版)
关键词 nitrate ion OZONE water cluster infrared and Raman spectra nitrate ion, ozone, water cluster, infrared and Raman spectra
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