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Acta Chimica Sinica ›› 1997, Vol. 55 ›› Issue (10): 948-951. Previous Articles Next Articles
Original Articles
郝策;滕永文;吴师;赵学庄;唐敖庆;封继康
发布日期:
HAO CE;TENG YONGWEN;WU SHI;ZHAO XUEZHUANG;TANG AOQING;FENG JIKANG
Published:
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Intermediate neglect of differential overlap (INDO) calculations were used to study two isomers of C64H6: one of C2v symmetry and the other of Cs symmetry. The symmetry of C64H6 was discussed and related to 13C NMR results. The calculated electronic spectrum for C64H6(C2v) is in good agreement with the experimental results.
Key words: C13 NMR SPECTROMETRY, INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP APPROXIMATION (IND, FULLERENES
CLC Number:
O641
HAO CE;TENG YONGWEN;WU SHI;ZHAO XUEZHUANG;TANG AOQING;FENG JIKANG. A theoretical study on the structures and spectra of C64H6[J]. Acta Chimica Sinica, 1997, 55(10): 948-951.
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