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Ab initio study on N,N-dimethylaminoethanol: Conformers and energies

✍ Scribed by Kedong Wang; Tongjun Miao; Yufang Liu


Book ID
116379915
Publisher
Elsevier
Year
2011
Tongue
English
Weight
403 KB
Volume
972
Category
Article
ISSN
2210-271X

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Ab initio studies of the conformers and
✍ 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