The electronic structure of perfluorodecalin studied by soft X-ray spectroscopy and electronic structure calculations
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چکیده
منابع مشابه
The electronic structure of perfluorodecalin studied by soft X-ray spectroscopy and electronic structure calculations.
Fluorine and carbon K absorption and emission spectra of liquid perfluorodecalin are presented and analyzed in terms of density functional calculations-configuration interaction. A comprehensive view of the electronic structure is given, and site-specific intramolecular interactions are investigated in detail. It is found that, while the outer fluorine atoms have excess charge in the ground sta...
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ژورنال
عنوان ژورنال: Phys. Chem. Chem. Phys.
سال: 2014
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c4cp03153a