H/D and 12C/13C vapor pressure isotope effects in liquid methylene difluoride studied by density functional theory
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DOI: 10.1016/j.cplett.2019.137036
Abstract: Abstract H/D and 12C/13C vapor pressure isotope effects (VPIE’s) in liquid CH2F2 were studies at the mPW1PW91/6-31++G(d) level of theory. The optimized monomer and CH2F2 molecules surrounded by other CH2F2 molecules in optimized CH2F2 clusters… read more here.
Keywords: pressure isotope; isotope effects; 12c 13c; vapor pressure ... See more keywords