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Details for article 74 of 124 found articles
| Title: |
Non-Rigid Treatment of Interactions Between C60 Molecules |
| Author: |
Osawa, Shuichi Osawa, Eiji |
| Appeared in: |
Fullerenes, nanotubes & carbon nanostructures |
| Paging: | Volume 4 (1996) nr. 3 pages 329-346 |
| Year: |
1996-05-01 |
| Contents: |
Atom-atom van der Waals interaction energies are compared between bimolecular clusters of C60 and circumcoronene, a model of graphite, with the aid of molecular mechanics. The minimum in the potential energy curve of the former is shallower and higher than the latter. Average equilibrium distance (3.08 Å) in the bimolecular cluster C60-C60 agrees well with the experimental value (2.96 Å). Equilibrium configurations of the C60-C60 cluster contain quite a few inter-cage atom-pairs in the repulsive region. Analysis of molecular as well as electronic structure in the closest possible approach under stringent conditions indicate that C60 molecule is highly resilient ball. |
| Publisher: |
Taylor & Francis |
| Source file: |
Elektronische Wetenschappelijke Tijdschriften |
Details for article 74 of 124 found articles
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