Raman tensor calculation for magnesium phthalocyanine

SURFACE SCIENCE

卷:600

Article; Proceedings Paper

Tobik, Jaroslav ; Tosatti, Erio

关键词: density functional calculations;    magnesium phthalocyanine;    Raman scattering spectroscopy;   

DOI  :  10.1016/j.susc.2005.11.066

来源: Elsevier

【 摘 要 】

We present ab-initio density functional (DFT) calculations of the vibrational spectra of neutral magnesium phthalocyanine (MgPc) molecule and of its Raman scattering intensities. (c) 2006 Elsevier B.V. All rights reserved.

【 授权许可】

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