Hydrogen Bonding Effects on the 13C NMR
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Guang Zheng; Liming Wang; Jianzhi Hu; Xiaodong Zhang; Lianfang Shen; Chaohui Ye;
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Article
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1997
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John Wiley and Sons
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English
β 164 KB
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The inΓuence of hydrogen bonding (HB) on the 13C chemical shift tensors in four solid amino acids was studied by the ab initio gauge-included atomic orbital (GIAO) approach. The results of the present calculations were compared with those predicted previously and with the experimentally observed shi