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    JCC
    2008
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    Systematic investigation on the geometric dependence of the calculated nuclear magnetic shielding constants
    13 years 11 months ago
    Systematic investigation on the geometric dependence of the calculated nuclear magnetic shielding constants
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    : We perform a systematic examination on the dependence of the calculated nuclear magnetic shielding constants on the chosen geometry for a selective set of density functional meth...
    Ying Zhang, Xin Xu, Yijing Yan
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