The solvent effect on the NMR chemical shielding in liquid water is calculated from a combination of molecular dynamics simulations and quantum chemical calculations for protons and 1 7 0 . The simulations are performed with three different potentials, ab initio as well as empirical ones, to study t
✦ LIBER ✦
Interatomic Interactions in the Adsorption of Asphaltenes and Resins on Kaolinite Calculated by Molecular Dynamics
✍ Scribed by Murgich, Juan; Rodríguez M, Jesús; Izquierdo, Alejandro; Carbognani, Lante; Rogel, Estrella
- Book ID
- 121397665
- Publisher
- American Chemical Society
- Year
- 1998
- Tongue
- English
- Weight
- 74 KB
- Volume
- 12
- Category
- Article
- ISSN
- 0887-0624
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