期刊
JOURNAL OF THE IRANIAN CHEMICAL SOCIETY
卷 11, 期 1, 页码 179-186出版社
SPRINGER
DOI: 10.1007/s13738-013-0288-3
关键词
Configuration; NMR; Computational; Holadyson; Ab initio
The unassigned configurations of holadyson in the C8, C9, C13, C14, and C17 were assigned as S, S, R, S, and S, respectively. In this assignment, the extensive density functional theory calculations followed by chemical shift predictions were employed. Predicted chemical shifts were correlated to experimental ones to find the correct configuration, shown here.
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