Infinite Dilution Activity Coefficients as Constraints for Force Field Parametrization and Method Development
نویسندگان
چکیده
منابع مشابه
design and construction of a new ebulliometer for measurement of infinite dilution activity coefficients
infinite dilution activity coefficients have been measured for seven binary systems at three different pressures using a newly - designed ebulliometer. the results obtained through these experimental measurements have been compared to literature values for four of the seven binary systems and the calculated deviation has been less than five percent in most cases. having verified the soundness a...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2019
ISSN: 1549-9618,1549-9626
DOI: 10.1021/acs.jctc.8b01029