to functionalize cnt

[anju]

i want to know how to insert carboxylic group within cnts?

[zh]

1. prepare a xyz file for the carboxylic group, for example:

Code

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C         -2.35369       -2.98892        0.00000
C         -3.23969       -4.36579        0.00000
O         -4.48139       -4.16587        0.00000
O         -2.54377       -5.41329        0.00000
H         -2.36337       -6.49448       -0.14573

2. Use the "Nanotube" Builder in the "Custom Builder" of VNL to create a CNT, and then transfer it into the "Builder". 3.  Drag the xyz file of carbonxylic group into the "Builder" window for the created CNT.