The interaction of the anions CN-and SCN-with water has been investigated with by methods of computational chemistry. Complexes of CN-and SCNwith water show near-linear hydrogen bonds with binding energies of about -67 (CN-) and -54 (SCN-) kJ/mol. Coordination to the N-site is preferred over the C o
β¦ LIBER β¦
Molecular dynamics and quantum chemical approaches in the study of the hydration of protonated cyclohexyldiamines
β Scribed by Lopes Jesus, A.J.; Almeida, J.A.S.; Pais, A.A.C.C.; Redinha, J.S.
- Book ID
- 121471209
- Publisher
- Taylor and Francis Group
- Year
- 2013
- Tongue
- English
- Weight
- 645 KB
- Volume
- 112
- Category
- Article
- ISSN
- 0026-8976
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