Theoretical Studies of Structures and13C NMR Chemical Shifts for Trihydroxyazepanes
博士 === 淡江大學 === 化學學系博士班 === 99 === Owing to the conformational flexibility for trihydroxyazepanes, the theoretical prediction should be helpful for generating appropriate conformations. DFT/B3LYP/6-311++G(d,p) calculations of three isomers for trihydroxyazepanes are presented to obtain 28 conformati...
| Main Authors: | , |
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| Other Authors: | |
| Format: | Others |
| Language: | zh-TW |
| Published: |
100
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| Online Access: | http://ndltd.ncl.edu.tw/handle/26992194263915480127 |