Logarithm of the reduced partition function, ln β (‰), for the isotope pair 66Zn/64Zn.
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a)Initial input configuration was taken from a model molecule “ZnCit01” of the literature [8]. The LanL2DZ basis set was chosen for Zn and the 6–31G(d) basis set for H, C, and O. ln β = 3.93‰ at 298 K was reported.
创建时间：
2015-12-02
