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T
B
1st C2
double C2
C2 at T
Double C2 at T
T-C2 forms 5-ring
5-ring breaks
2nd B-C2 catches
wobbling C on 5-ring
to form 5/7-ring
B-C2 forms 5-ring
B-end
heals
four wobbling
C2’s at T
5-ring with wobbling C at T
DFTB/MD on SWNT with QM potential:
(5,5) 7.5 Å, 3000 K (I)
(5,5) 7.5 Å, 3000 K (I)
Movie
