1)  INDO
INDO
1.
The semi-empirical INDO method was used to study the electronic structures and the spectra of all of the 34 possible isomers of C78O based on C78 with group C2v.
为了模拟C78单加成物的加成位置和稳定性,并预测其光谱性质,用INDO系列方法对基于C2v-C78之上的C78O所有可能的34个异构体结构和电子光谱进行理论研究。
2.
On the basis of the experimental data, the equilibrium structures, enthalpy of formation, dipole moment, electronic and IR spectra of the possible isomers were calculated by AM1 and INDO semi-empirical quantum chemical methods.
在实验的基础上,用AM1及INDO系列半经验量子化学方法对C60O3的几个最可能的稳定异构体的平衡结构、生成焓、偶极矩、电子光谱及红外光谱进行了计算,给出了C60O3异构体的2个可能结构。
3.
All of the possible 21 isomers for C_77N~+, an isoelectronic molecule of C_78, were investigated by the INDO methods based on C_78(C_2V).
用INDO系列方法对C78(C2V)的等电子体C77N+的所有21种可能异构体进行系统的理论研究。
2)  INDO
UV谱
1.
The INDO series methods have been used to study the structures of some C60 cy-cloadducts C68H8、C68H6O and Q68H4O2.
用INDO系列方法研究了C60的几种环加成衍生物C68H8、C68H6O、C68H4O2的结构和UV谱。
3)  INDO
间略微分重叠
4)  INDO
半经验的分子轨道法
5)  INDO
INDO法
6)  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 。
参考词条
补充资料：INDO
分子式：
CAS号：

性质：简称INDO。与CNDO的区别在于，不仅保留单中心积分，而且保留单中心交换积分，即认为单原子微分重叠不为零。该方法相对于CNDO所增加的计算量不大，但在自旋密度的研究上却明显优于CNDO。对其他电子结构特性如电荷密度、分子轨道能量等计算，两种方法得到相近的结果。

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