## 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
Structure and Stability of VO2+ in Aqueous Solution: A Car—Parrinello and Static ab initio Study.
✍ Scribed by Aymeric Sadoc; Sabri Messaoudi; Eric Furet; Regis Gautier; Eric Le Fur; Laurent le Polles; Jean-Yves Pivan
- Publisher
- John Wiley and Sons
- Year
- 2007
- Weight
- 18 KB
- Volume
- 38
- Category
- Article
- ISSN
- 0931-7597
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