Review of Experimental GAPT and Infrared Atomic Charges in Molecules
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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AtomicChargeCalculator: interactive web-based calculation of atomic charges in large biomolecular complexes and drug-like molecules
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ژورنال
عنوان ژورنال: Journal of the Brazilian Chemical Society
سال: 2016
ISSN: 0103-5053
DOI: 10.5935/0103-5053.20160105