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
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。
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
[1]
. [J]. Physical Experiment of College, 2020, 33(1): 0
.
[2]
. [J]. Physical Experiment of College, 2020, 33(1): 0
.
[3]
WU Ming, ZENG Hong, ZHANG Wenpeng, ZHANG Yuanwei, DAI Zhenbing.
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.
[4]
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[J]. Physical Experiment of College, 2020, 33(1): 7
-9
.
[5]
DENG Li, LIU Yang, ZHANG Hangzhong, ZHOU Kewei, ZHAO guoru, WEI luanyi.
MATLAB simulation of Fourier transform of Gaussian beam and the spatial filtering effects basing on 4F optical imaging system
[J]. Physical Experiment of College, 2020, 33(1): 10
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.
[6]
MA Kun.
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[J]. Physical Experiment of College, 2020, 33(1): 17
-20
.
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[J]. Physical Experiment of College, 2020, 33(1): 21
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.
[8]
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[J]. Physical Experiment of College, 2020, 33(1): 25
-28
.
[9]
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Progress and Applications of Electron Spin Resonance in Biology
[J]. Physical Experiment of College, 2020, 33(1): 29
-33
.
[10]
CHEN Yingmo, SHEN Siyi, WANG Jie.
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[J]. Physical Experiment of College, 2020, 33(1): 34
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.
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