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Systematic ab initio studies of the conformers and conformational distribution of gas-phase tyrosine

✍ Scribed by Zhang, Meiling; Huang, Zhijian; Lin, Zijing

Book ID
120457482
Publisher
American Institute of Physics
Year
2005
Tongue
English
Weight
422 KB
Volume
122
Category
Article
ISSN
0021-9606

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Ab initio studies of the conformers and
Ab initio studies of the conformers and conformational distribution of gas-phase N,N-dimethylaminopropanol
✍ Kedong Wang; Jicai Zhang; Guoliang Xu πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 194 KB

## Abstract Systematic and extensive conformational search has been performed to characterize the gas‐phase __N,N__‐dimethylaminopropanol structures. A total of 91 unique trail structures were generated by allowing for all the single‐bond rotamers. All the trial structures were initially optimized