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81
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JCC
2008
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JCC 2008
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Systematic investigation on the geometric dependence of the calculated nuclear magnetic shielding constants
15 years 2 months ago
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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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