INDO/CI

作品数：24被引量：77H指数：5
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相关作者：封继康苏忠民阚玉和任爱民朱玉兰更多>>
相关机构：东北师范大学吉林大学延边大学淮阴师范学院更多>>
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相关基金：国家自然科学基金河北省自然科学基金江苏省教育厅自然科学基金吉林省杰出青年科学基金更多>>
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Theoretical Studies on Electronic Spectra and Second-order Nonlinear Optical Properties of Glucosyl Substituted Barbituric Acid Derivatives
《Chinese Journal of Chemistry》2006年第1期119-123,共5页冯静东 颜力楷 苏忠民 阚玉和 兰亚乾 廖奕 朱玉兰 
Project supported bythe National Natural Science Foundation of China （No.20162005）, and the Trans-century Programme Foundation for the Talents by the State Education Commission of China （No. [2001]3）.
AMI semi-empirical method was used to optimize the barbituric acid derivatives substituted with glucosyl B1-5 （series B）, and the thiobarbituric acid derivatives substituted with glucosyl T1-5 （series T）. Based on...
关键词：AMI INDO/CI electronic spectra second-order nonlinear optical property 
Theoretical Studies on Electronic Spectra and Second-order Nonlinear Optical Properties of Barbituric Acid Derivatives Substituted with Schiff Base被引量：1
《Chinese Journal of Chemistry》2004年第5期425-429,共5页孙刚 仇永清 孙海珠 苏忠民 冯静东 朱玉兰 
Project supported by the National Natural Science Foundation of China (No. 20162005) and Trans-century Programme Foundation for the Talents by the State Education Commission; China (No. [2001]3).
The structures of barbituric acid derivatives substituted with Schiff base were optimized using ab initio HF method at 6-31G basis set. Based on the optimized structures, the electronic spectra were obtained by INDO/C...
关键词：INDO/CI NLO electronic spectra 
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