Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
113 (2000), S. 738-743
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Recently a new intermolecular potential for C60 was derived from ab initio calculations. Using this new interaction potential we numerically study the phase diagram of fullerite. Several numerical techniques are used in order to ascertain the correctness of the results. We predict that C60 can be found in the liquid state for densities between 0.468 and 0.845 nm−3 and temperatures between 1881 and 2012 K. © 2000 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.481867
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