## Abstract The derivatives of 2,5‐dipicryl‐1,3,4‐oxadiazole (DPO) were optimized to obtain their molecular geometries and electronic structures at the DFT‐B3LYP/6‐31G^\*^ level. Their IR spectra were obtained and assigned by vibrational analysis. Compared with the experimental results, all the cal
✦ LIBER ✦
Theoretical study on the structural, vibrational, and thermodynamic properties of the (Br2GaN3)n(n = 1–4) clusters
✍ Scribed by Qi-Ying Xia; Qing-Fu Lin; Wen-Wei Zhao
- Publisher
- Springer-Verlag
- Year
- 2011
- Tongue
- English
- Weight
- 175 KB
- Volume
- 18
- Category
- Article
- ISSN
- 1610-2940
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