Spectrum and Physical Properties of C70 Under the External Electric Field

Fullerene C 70 has a broad application prospect. It is of great significance for investigating the properties of fullerene C 70 under the external electric field. The dipole moment, energy gap and infrared spectrum of fullerene C 70 molecule under external electric field (0–0.040 atomic units) are s...

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Veröffentlicht in:	Journal of cluster science 2020-09, Vol.31 (5), p.951-960
Hauptverfasser:	Xiang, Qianjin, Liu, Yuzhu, Zhang, Xiangyun, Duan, Yiqun, Bumaliya, Abulimiti, Xiang, Mei
Format:	Artikel
Sprache:	eng
Schlagworte:	Absorption spectra Catalysis Chemistry Chemistry and Materials Science Density functional theory Dipole moments Doppler effect Electric fields Energy Energy gap Excitation spectra Fullerenes Infrared radiation Inorganic Chemistry Molecular structure Nanochemistry Original Paper Physical Chemistry Physical properties Red shift Ultraviolet spectra Vibration mode
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