The interaction between nitrate anion and water has been investigated Ε½ . by HartreeαFock calculations with the 6-311 q G d, p basis set and by B3LYP density functional calculations with the aug-cc-pVTZ basis set. It is found that the global energy minimum is a planar configuration where both hydrog
β¦ LIBER β¦
Quantum-chemical study of interaction of water with urea
β Scribed by K. Ya. Burshtein; Yu. I. Khurgin
- Book ID
- 112442638
- Publisher
- Springer
- Year
- 1984
- Tongue
- English
- Weight
- 419 KB
- Volume
- 33
- Category
- Article
- ISSN
- 1573-9171
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