## An energy decomposition method is present in statistical Monte Carlo simulations of aqueous solutions of a series of organic solutes, making use of a hybrid quantum mechanical and polarizable molecular mechanical Ε½ . QMrMM-PIPF approach. In the hybrid QMrMM-PIPF method, the mutual soluteαsolvent
NMR Solvent Shifts of Adenine in Aqueous Solution from Hybrid QM/MM Molecular Dynamics Simulations
β Scribed by Komin, Sittipong; Gossens, Christian; Tavernelli, Ivano; Rothlisberger, Ursula; Sebastiani, Daniel
- Book ID
- 121374160
- Publisher
- American Chemical Society
- Year
- 2007
- Tongue
- English
- Weight
- 236 KB
- Volume
- 111
- Category
- Article
- ISSN
- 0022-3654
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