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搜索结果: 1-15 共查到理学 HO2相关记录16条 . 查询时间(0.125 秒)
The hydroxyl radical (OH) plays a key role in the oxidation of trace gases in the troposphere. However, observations of OH and the closely related hydroperoxy radical (HO2) have been sparse, especiall...
Fluorescence Assay by Gas Expansion (FAGE) has been used to detect ambient levels of OH and HO2 radicals at the Cape Verde Atmospheric Observatory, located in the tropical Atlantic marine boundary lay...
The reactions of ozone with alkenes are an important source of hydroxyl (OH) radicals; however, quantification of their importance is hindered by uncertainties in the absolute OH yield. Hydroxyl radic...
在介质阻挡放电等离子体N2/O2/H2O/HCHO体系中通过解Boltzmann方程, 得到电子能量分布函数, 利用得到的电子能量分布函数计算电子-分子碰撞反应速率常数. 然后把有关的反应速率常数带入速率方程, 计算得到该体系在介质阻挡放电时,·OH、HO2·和电子的浓度随时间的演变以及·OH、HO2·浓度随H2O、O2摩尔分数的变化, 并将模拟结果与实验值进行了对比, 两者符合得较好.
用密度泛函理论(DFT)的B3LYP方法,在6-311G、6-311+G(d)、6-311++G(d, p) 基组水平上研究了CH3CF2O2HO2自由基反应机理. 结果表明, CH3CF2O2HO2自由基反应存在两条可行的通道. 通道CH3CF2O2HO2→IM1→TS1→CH3CF2OOH+O2的活化能为77.21 kJ226;mol-1,活化能较低,为主要反应通道,其产物是O2和...
Measurements of hydroxyl (OH) and hydroperoxy (HO2) radicals were made during the Mexico City Metropolitan Area (MCMA) field campaign as part of the MILAGRO (Megacity Initiative: Local and Global Rese...
Measurements of tropospheric hydroxyl (OH) and hydroperoxy (HO2) radicals were made during the MCMA (Mexico City Metropolitan Area) field campaign as part of the MILAGRO (Megacity Initiative: Local an...
Model-measurement comparisons of HOx in extremely clean air ([NO]<3 ppt) are reported. Measurements were made during the second Southern Ocean Photochemistry Experiment (SOAPEX-2), held in austral sum...
OH and HO2 concentrations were measured simultaneously at the Mace Head Atmospheric Research Station in the summer of 2002 during the NAMBLEX (North Atlantic Marine Boundary Layer EXperiment) field ca...
Several zero-dimensional box-models with different levels of chemical complexity, based on the Master Chemical Mechanism (MCM), have been used to study the chemistry of OH and HO2 in a coastal environ...
OH and HO2 radical concentrations have been measured in the boundary layer of coastal Antarctica for a six-week period during the austral summer of 2005. The measurements were performed at the British...
This work details the first direct observation of OH as a product from (R1): HO2+CH3C(O)O2→(products), which has generally been considered an atmospheric radical termination process. The technique of ...
We have studied the impact of the recently observed reaction NO+HO2→HNO3 on atmospheric chemistry. A pressure and temperature-dependent parameterisation of this minor channel of the NO+HO2→NO2+OH reac...
用量子化学密度泛函方法, 在CCSD(T)/cc-pVDZ//B3LYP/6-31+G(d,p)水平上研究了氟代乙酰过氧自由基[CF3C(O)O2]和氢过氧自由基(HO2)的反应机理. 研究结果表明, 反应物优先生成能量低的单态反应络合物, 进而经过相对较低的反应势垒生成臭氧和氟代羧酸, 即CF3C(O)O2+HO2→CF3C(O)OH+O3为主要反应. 该结论与实验结果一致.
采用CASPT2/CASSCF方法对HO2自由基进行统计算, 优化了三个电子态的稳定点几何构型, 得到详细的频率数据. 利用垂直激发计算确定了3个里德堡态、11个价电子态的电子结构以及在三种理论水平上(CASSCF, SS-CASPT2和MS-CASPT2)的能量信息. 计算中使用了ANO-L和ANO-L+基组, 验证了已知实验数据的同时, 通过与其它理论计算结果的对比, 揭示了应用弥散轨道系数对...

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