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Accelerated molecular dynamics simulation of the thermal desorption of n-alkanes from the basal plane of graphite

✍ Scribed by Becker, Kelly E.; Fichthorn, Kristen A.


Book ID
121801874
Publisher
American Institute of Physics
Year
2006
Tongue
English
Weight
482 KB
Volume
125
Category
Article
ISSN
0021-9606

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A molecular dynamics study of the cyanoa
✍ P Brol; S PaΕ‚ucha; M Skrzypek; Z Gburski πŸ“‚ Article πŸ“… 2004 πŸ› Elsevier Science 🌐 English βš– 245 KB

The orientational and translational motions of cyanoadamantane (C 10 H 15 CN) molecules between the graphite substrates have been studied using molecular dynamics simulations, for the range of temperatures T (100 K , T , 900 K). Because of the complicated structure of cyanoadamantane (CNadm) molecul