The energetics and reaction mechanism of prototypical organometallic reactions have been investigated by combining static and dynamic density functional calculations, based on the Car-Parrinello method. Such an approach allows us to dynamically sample the potential energy surface of the reactive sys
β¦ LIBER β¦
Ab initio molecular dynamics simulations of the Li4F4cluster
β Scribed by A. Heidenreich; J. Sauer
- Publisher
- Springer
- Year
- 1995
- Tongue
- English
- Weight
- 662 KB
- Volume
- 35
- Category
- Article
- ISSN
- 1434-6060
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