Gas-Phase Conformations of 3-Buten-2-ol from Density-Functional Theoretical Results Together with Electron-Diffraction and Vibrational Spectroscopic Data
作者： I. F. Shishkov , S. Shlykov , B. Rousseau , Z. H. Peng , C. Van Alsenoy
DOI: 10.1021/JP002616G
关键词:
摘要: The conformational space of 3-buten-2-ol (BUO), governed by the torsion angles ϕ 1 (O C C C) and ϕ 2 (H O C C(sp 2 )), was searched, and nine energy minima were located, using …
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