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Evaluation of stratospheric chlorine chemistry for the Arctic spring 2005 using modelled and measured OClO column densities
stratospheric chlorine chemistry the Arctic spring 2005 OClO column densities
2011/2/24
Chlorine dioxide, OClO, column amounts retrieved from measurements of the SCIAMACHY satellite instrument are presented and validated by comparison with simultaneous ground-based DOAS observations. In ...
Simultaneous measurements of OClO, NO2 and O3 in the Arctic polar vortex by the GOMOS instrument
OClO NO2 O3 Arctic polar GOMOS instrument
2009/11/9
We present the first nighttime measurements of OClO from a limb-viewing satellite instrument in the Arctic polar vortex. The relationship between OClO, NO2 and O3 slant column densities in the Arctic ...
Retrieving the vertical distribution of stratospheric OClO from Odin/OSIRIS limb-scattered sunlight measurements
vertical distribution of stratospheric OClO Odin/OSIRIS limb-scattered sunlight measurement
2009/1/8
The first vertical profiles of stratospheric OClO retrieved from Odin/OSIRIS limb-scattered sunlight radiances are presented. The retrieval method is based on a two-step approach, using differential o...
OClO里德堡态激发能的准确预测及其阴离子低能激发态的从头算研究
OClO 全活化空间自洽场方法 二级多组态微扰理论 激发态 里德堡态
2008/10/14
采用全活化空间自洽场方法(CASSCF)研究了OClO阴离子7个低能电子态及其自由基的基态. 为了进一步考虑动态电子相关效应, 采用二级多组态微扰理论(CASPT2)获得更加可靠的能量值. 此外, 在ANO-L基组的基础上, 在OClO自由基的电荷中心增加了为研究里德堡态所建立的1s1p1d的波函数, 并应用多组态二级微扰理论(MS-CASPT2)方法获得了里德堡态的准确电子激发能.
摘要 用密度泛函B3LYP/-311+G~(* *)和级电子相关倒映 合簇CCSD(T)/6-311+G~(* *)方法研究了OClO与OH反应的微观机理，研究结果表明：该反应经过缔合、H转移 和离解等复杂过程，最终得到四种产物，分别为HOCl+O_2，HCl+O_3,ClO+HO_2和 HOClO_2,从能量上看，形成HOCl+O_2和HCl+O_3的通道更容易进行，而形成 ClO+HO_2的通...