Fe catalyzed SWNT growth: Fe fills carbon p*-gLUMOsh
Results of electron population analysis
t=1.67 ps
t=1.69 ps
t=1.73 ps
-0.81
2.68
-0.95
-0.15
2.78
-0.95
0.12
2.87
-1.12
0.02
-1.12
-1.13