## Abstract A simulation of phosphate in aqueous solution was carried out employing the new QMCF MD approach which offers the possibility to investigate composite systems with the accuracy of a QMMM method but without the time consuming creation of solute–solvent potential functions. The data of th
✦ LIBER ✦
Determination of Structure and Dynamics of the Solvated Bisulfide (HS − ) Ion by ab Initio QMCF Molecular Dynamics
✍ Scribed by Kritayakornupong, Chinapong; Vchirawongkwin, Viwat; Rode, Bernd M.
- Book ID
- 126067766
- Publisher
- American Chemical Society
- Year
- 2010
- Tongue
- English
- Weight
- 215 KB
- Volume
- 114
- Category
- Article
- ISSN
- 0022-3654
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