At B LYP/- G ,B LYP/- G , B LYP/- ++G levels and by GIAO method, NMR spectrum of the titled compound has been studied.
At B LYP/- G ,B LYP/- G , B LYP/- ++G levels and by GIAO method, NMR spectrum of the titled compound has been studied.
并用GIAO分别在B LYP/ G 、B LYP/ G 和B LYP/ ++G 水平对该化合物的核磁共振谱进行了研究。