Theoretical Investigation of the Structural and Spectroscopic Properties of Anthracene Dimers

被引：0
作者：
R. R. Valiev
K. B. Kopbalina
V. N. Cherepanov
N. Kh. Ibraev
N. A. Mazhenov
机构：
[1] National Research Tomsk State University,
[2] National Research Tomsk Polytechnic University,undefined
[3] Institute of Monitoring of Climatic and Ecological Systems of the Siberian Branch of the Russian Academy of Sciences,undefined
[4] Karaganda State Technical University,undefined
[5] E. A. Buketov Karaganda State University,undefined
来源：
Russian Physics Journal | 2014年 / 57卷
关键词：
thin films; anthracene dimers; density functional theory;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
Equilibrium geometries of the ground electronic state of anthracene dimers are obtained using the density functional level of theory with the B97D hybrid functional and the TZVP basis set and their electronic absorption spectra are simulated.
引用
收藏
页码：95 / 99
页数：4
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