4.4 Article Proceedings Paper

Raman tensor calculation for magnesium phthalocyanine

Journal

SURFACE SCIENCE
Volume 600, Issue 18, Pages 3995-3998

Publisher

ELSEVIER SCIENCE BV
DOI: 10.1016/j.susc.2005.11.066

Keywords

density functional calculations; magnesium phthalocyanine; Raman scattering spectroscopy

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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.

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