1) INDO/CI
INDO/CI
1.
The electronic spectra of azulene derivatives were studied by using INDO/CI methods on the basis of the optimized geometries with AM1 method.
利用量子化学半经验AM1和INDO/CI方法,研究几种茂并芳庚D-π-A型衍生物结构的规律和光谱性质。
2.
Based on the geometries optimized via AM1 method, the effects of the peripheral NO_2 group substituents of subphthalocyanine(C_ 24H_ 12B_1Cl_1N_6) on the electronic spectra and second order nonlinear optical properties were observed by using INDO/CI-SOS method.
在 AM1方法优化的几何结构基础上 ,用 INDO/CI-SOS方法深入探讨亚酞菁 (C2 4 H1 2 B1 Cl1 N6 )的硝基取代对体系的电子光谱和二阶非线性光学性质的影响 。
3.
The electronic spectra of fulleropyrrole derivatives were studied by using INDO/CI methods on the basis of the optimized geometries with AM1 method.
同时用INDO/CI SOS方法计算了所设计的体系的二阶非线性光学系数 βμ,其中 βμ 最大可达40 2 3× 10 3 0 esu 。
2) INDO/CI method
INDO/CI方法
3) AM1 and INDO/CI methods
AM1和INDO/CI方法
补充资料：4-Fluorophenol ester-4-Indo benzoate
分子式：暂无
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CAS号：暂无
性质：暂无
制备方法：暂无
用途：暂无
分子量：暂无
CAS号：暂无
性质：暂无
制备方法：暂无
用途：暂无
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