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β-榄香烯振动光谱的量子化学从头计算
胡皆汉1; 程国宝1; 叶金星2; 龙翔云2
Source Publication光谱学与光谱分析
2001-01-01
ISSN1000-0593
Volume021Issue:002Pages:163
Abstract利用G98及GAMESS从头计算程序的RHF/6-31方法,对β-榄香烯的全部振动基频作了计算,并与实测红外光谱做了对比,归属了它们的振动模式,讨论了它们的特征基频,并对理论计算的振动频率进行了标度校正。
Language英语
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/178331
Collection中国科学院大连化学物理研究所
Affiliation1.中国科学院大连化学物理研究所
2.广西大学
First Author Affilication中国科学院大连化学物理研究所
Recommended Citation
GB/T 7714
胡皆汉,程国宝,叶金星,等. β-榄香烯振动光谱的量子化学从头计算[J]. 光谱学与光谱分析,2001,021(002):163.
APA 胡皆汉,程国宝,叶金星,&龙翔云.(2001).β-榄香烯振动光谱的量子化学从头计算.光谱学与光谱分析,021(002),163.
MLA 胡皆汉,et al."β-榄香烯振动光谱的量子化学从头计算".光谱学与光谱分析 021.002(2001):163.
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