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大学物理实验, 2022, 35(2): 31-34     https://doi.org/10.14139/j.cnki.cn22-1228.2022.02.007
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星际分子硫代甲醛 H2CS 的形成机理研究
杨 雪*,赫明威,赵国明*
吉林化工学院理学院,吉林 吉林 132022
Formation Mechanism of the Interstellar Molecule Thioformaldehyde H 2 CS
YANG Xue *, HE Mingwei ,ZHAO Guoming
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摘要 

采用密度泛函 B3LYP 方法,在 6-311+G(d,p)基组水平下,对星际分子硫代甲醛(H2CS)的形成机理进行研究,获得了合理的冰相合成反应通道。 获得的信息有助于为进一步研究星际介质中含硫分子的形成提供参考。

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杨 雪
赫明威
赵国明
关键词:  密度泛函方法  内禀反应坐标  硫代甲醛
    
Abstract: 

The formation mechanism of HCS was studied at 6-311+G(d,p) base level by density functional B3LYP method,and a reasonable ice phase synthesis reaction channel was obtained.The obtained information is helpful to further study the formation of molecules containing sulfur atoms in the interstellar medium.

Key words:  density functional method    intrinsic reaction coordinate    thioformaldehyde
               出版日期:  2022-04-25      发布日期:  2022-04-25      整期出版日期:  2022-04-25
ZTFLH:  O 643.12  
引用本文:    
杨 雪, 赫明威, 赵国明. 星际分子硫代甲醛 H2CS 的形成机理研究 [J]. 大学物理实验, 2022, 35(2): 31-34.
YANG Xue , HE Mingwei , ZHAO Guoming. Formation Mechanism of the Interstellar Molecule Thioformaldehyde H 2 CS . Physical Experiment of College, 2022, 35(2): 31-34.
链接本文:  
http://dawushiyan.jlict.edu.cn/CN/10.14139/j.cnki.cn22-1228.2022.02.007  或          http://dawushiyan.jlict.edu.cn/CN/Y2022/V35/I2/31
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