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5. Molecular Structure, Vibrational Assignments and Non-Linear Optical Properties of 4,4’ Dimethylamino

Molecular Structure, Vibrational Assignments and Non-Linear Optical Properties of 4,4’ Dimethylamino

来源 :材料物理与化学进展(英文) | 被引量 : 0次 | 上传用户：alex851123

【摘 要】

：

In the present study, structural properties of 4,4’ dimethylaminocyanobiphenyl (DMACB) have been studied extensively by using ab initio Hartree Fock (HF) and d

【作 者】

：

Charef Tabti Nadia Benhalima 

【机 构】

：

FacultyofSciencesandtheTechnology

【出 处】

：

材料物理与化学进展(英文)

【发表日期】

：

2015年7期

【关键词】

：

Ab Initio 4 4’ Dimethylaminocyanobiphenyl (DMACB) Dipole Moment POLARIZABILITY H 

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论文部分内容阅读

In the present study, structural properties of 4,4’ dimethylaminocyanobiphenyl (DMACB) have been studied extensively by using ab initio Hartree Fock (HF) and density functional theory (DFT) employing B3LYP/B3PW91 exchange correlation levels of theory. The

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