Articles with "properties initio" as a keyword



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Photophysical properties and ab initio HF and DFT calculations of the structure and spectroscopy of axially chloro substituted Yb(III) mono-phthalocyanines in different systems☆

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Published in 2018 at "Journal of Luminescence"

DOI: 10.1016/j.jlumin.2017.09.002

Abstract: Abstract Lanthanide complexes with phthalocyanines (Pc) and porphyrins are of great interest because of unique luminescence behavior and many applications, mainly in medicine, optoelectronics, lasers and solar energy conversion. This paper is focused on photophysical… read more here.

Keywords: properties initio; chloro substituted; axially chloro; spectroscopy ... See more keywords