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Density Functional Theory Study on Conformers of Benzoylcholine Chloride
The optimized molecular structures and vibrational frequencies and also gauge including atomic orbital (GIAO) 1H and 13C NMR shift values of benzoylcholine chloride [(2-benzoyloxyethyl) trimethyl ammonium chloride] have been calculated using density functional theory (B3LYP) method with 6-31++G(d) b...
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| Main Authors: | , , |
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| 格式: | Artigo |
| 語言: | Inglês |
| 出版: |
Hindawi Limited
2013-01-01
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| 叢編: | Journal of Spectroscopy |
| 在線閱讀: | http://dx.doi.org/10.1155/2013/369342 |
| 標簽: |
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