1) singlet CCl2
单重态CCl_2
1.
The thermodynamic and kinetic studies have been carried out on the reaction of singlet CCl2 and ozone O3 at 200K- 2000K, using statistic thermodynamics and Eyring transition state theory with Wigner correction on the basis of quantum chemistry.
在量化计算的基础上运用统计热力学和Wigner校正的Eyring过渡态理论研究了不同温度下单重态CCl_2和臭氧O_3反应的热力学及动力学性质。
2) CCl2
CCl_2
1.
The mechanism of the reaction of the singlet CCl2 with O3 has been studied by using ab initio method at 6-31G(d) level.
用量子化学从头算方法,研究了单重态CCl_2与O_3反应的机理。
3) Singlet oxygen
单重态氧
1.
Generation of Singlet Oxygen by Decomposition of Triphenyl Phosphite Ozonide;
亚磷酸三苯酯臭氧化合物分解产生单重态氧的研究
2.
The research status and development of photochemical bleaching technologies were reviewed, the photochemical bleaching technologies based on free radical mechanism and singlet oxygen mechanism were included, and the application foreground of the photochemical bleaching technologies was prospected.
综述了目前纸浆光化学漂白技术的研究现状及发展 ,包括基于自由基机理的光化学漂白和基于单重态氧机理的光化学漂白 ,对纸浆光化学漂白技术的应用前景进行了展望。
3.
The concentration of singlet oxygen, wh.
同时本文还利用β值的测定，算出染料光氧化过程中敏化产生的单重态氧的浓度以及二者反应的速率常数。
4) Singlet state
单重态
1.
Three Singlet states 1A 1 and five triplet states ( 3A 2、 3B 1 and 3B 2)have been found, and the frequency analysis confirms that there are no image frequencies for these states, indicating that they are geniune minima at the potential energy surface.
应用密度泛函理论 (DFT)的B3LYP和B3PW91两种方法 ,在 6 3 11+G 和aug cc pVTZ基组水平上 ,分别优化了CS2 可能存在的非线形单重态和三重态构型 ,在全局势能面上共发现 3个单重态 (电子态 1 A1 )和 5个三重态 (电子态分别为 3A2 、3B2 和 3B2 )的非线形CS2 异构体 ,正则振动频率分析证明所得到构型均是位能面上的极小 。
5) singlet HCCN
单重态HCCN
6) Singlet delta oxygen
单重态氧
1.
At present the chemical oxygen-iodine lasers is utilizing the chemical reaction to produce singlet delta oxygen, which has many shortages and would be replaced.
目前比较成熟的化学氧碘激光器是采用化学方法产生单重态氧,这种方法存在诸多弊端,发展空间有限。
补充资料：单重态
分子式：
CAS号：
性质：总自旋量子数S为0的量子态，其2S+1=1。
CAS号：
性质：总自旋量子数S为0的量子态，其2S+1=1。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条