Force field refinement for reproducing experimental \newline infrared spectra of ionic liquids
نویسندگان
چکیده
This study investigates the possibilities and limitations of reproducing experimental infrared spectra ionic liquids via polarizable molecular dynamics force fields. The field refinement is based on FFGenOpt, an...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2023
ISSN: ['1463-9076', '1463-9084']
DOI: https://doi.org/10.1039/d3cp00932g