Quantum chemical calculations of the equilibrium geometry, harmonic vibrational frequencies, infrared intensities and Raman scattering activities of 2,4,6-trinitrophenol (TNP, C 6 H 3 N 3 O 7 ) in the ground state were carried out by using ab initio HF and density functional theory (DFT/B3LYP) metho
✦ LIBER ✦
Structure of the complex UCl4∙2DMF by vibrational infrared spectroscopy and density functional theory
✍ Scribed by M. B. Shundalau; A. I. Komyak; A. P. Zazhogin; D. S. Umreiko
- Book ID
- 113068151
- Publisher
- Springer US
- Year
- 2012
- Tongue
- English
- Weight
- 216 KB
- Volume
- 79
- Category
- Article
- ISSN
- 0021-9037
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