Experimental validation of calculated atomic charges in ionic liquids
نویسندگان
چکیده
منابع مشابه
Experimental Validation of Calculated Atomic Charges in Ionic Liquids Richard
A combination of X-ray photoelectron spectroscopy (XPS) and near edge X-ray absorption fine structure (NEXAFS) spectroscopy have been used to provide an experimental measure of nitrogen atomic charge in nine ionic liquids (ILs). These experimental results are used to validate charges calculated with three computational methods: charges from electrostatic potentials using a grid-based method (Ch...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2018
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.5011662