Torsional barriers in biphenyl, 2,2′-bipyridine and 2-phenylpyridine

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DOI:10.1016/S0009-2614(00)00352-3
文献类型：期刊论文
补充材料：只需要正文
文献链接：https://doi.org/10.1016/S0009-2614(00)00352-3

Elsevier

Abstract：The rotational barriers for biphenyl, 2,2′-bipyridine and 2-phenylpyridine were calculated with HF, B3LYP, BPW91, and MP2 and double-zeta polarized basis sets. The methods differ significant

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