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Published in 2020 at "Chemical Physics Letters"
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…
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Keywords:
pressure isotope;
isotope effects;
12c 13c;
vapor pressure ... See more keywords
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Published in 2019 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.9b07181
Abstract: A synthesis of chiral hydrocarbons having C1 axis and C3 symmetry, which owe their chirality due to asymmetrical distribution of 12C/13C isotopes, is reported. Their absolute configurations assigned using the vibrational circular dichroism (VCD) technique…
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Keywords:
12c 13c;
synthesis stereochemical;
stereochemical assignment;
asymmetric synthesis ... See more keywords