Density functional theory investigation of cocaine water complexes
β Scribed by Senthilkumar, Lakshmipathi; Umadevi, Palanivel; Nithya, Kumaranathapuram Natarajan Sweety; Kolandaivel, Ponmalai
- Book ID
- 120573193
- Publisher
- Springer-Verlag
- Year
- 2013
- Tongue
- English
- Weight
- 816 KB
- Volume
- 19
- Category
- Article
- ISSN
- 1610-2940
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By using density functional ab initio techniques the equilibrium structure, binding energy, and electronic distribution were determined for [X(H 2 O) n ] +k . Specifically, when X = H, Li, and Na, k = +1 and when k = +2, X = Be and Mg. In all cases the number of water molecules varies from one throu