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l-Lactate dehydrogenation in flavocytochrome b2 : A first principles molecular dynamics study

✍ Scribed by Gloria Tabacchi; Daniela Zucchini; Gianluca Caprini; Aldo Gamba; Florence Lederer; Maria A. Vanoni; Ettore Fois


Book ID
111312899
Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
661 KB
Volume
276
Category
Article
ISSN
1432-1327

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Hydrogen in crystalline and amorphous si
✍ F. Buda; G.L. Chiarotti; R. Car; M. Parrinello πŸ“‚ Article πŸ“… 1991 πŸ› Elsevier Science 🌐 English βš– 520 KB

Structural and dynamical properties of hydrogen in crystalline and amorphous silicon are analyzed by ab initio molecular dynamics simulations. In the crystalline casc we focus mainly on the diffusion process of an isolated positively charged hydrogen impurity at high temperature, finding important d