Comparison of ab initio HF and DFT calculations of the structure and spectroscopy of two dimeric systems of chloro Yb(III) mono-phthalocyanine in polymeric lattice

Title
Comparison of ab initio HF and DFT calculations of the structure and spectroscopy of two dimeric systems of chloro Yb(III) mono-phthalocyanine in polymeric lattice
Authors
Keywords
Ytterbium, Monophthalocyanine, DFT and Ab initio HF calculation, Spectroscopic properties, Dimeric systems, Spectroscopy in polymeric matrix
Journal
OPTICAL MATERIALS
Volume 108, Issue -, Pages 110153
Publisher
Elsevier BV
Online
2020-07-12
DOI
10.1016/j.optmat.2020.110153

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