Table 1 Parameters used in the simulation of the Nanocar and nanotruck.
From: Motion of fullerene nanomachines on thermally activated curved gold substrates
Bonds parameters | ||||
|---|---|---|---|---|
\(\:{K}_{b}\left(\frac{ev}{\hbox{\AA}^{2}}\right)\) | r0 (Ã…) | Description | ||
\(\:48.6652\) | \(\:1.212\) | \(\:C2\:C2\) | ||
\(\:30.8837\) | \(\:1.313\) | \(\:C2\:CA\) | ||
\(\:25.1593\) | \(\:1.392\) | \(\:CA\:CA\) | ||
\(\:14.3500\) | \(\:1.101\) | \(\:CA\:H\) | ||
\(\:34.5960\) | \(\:1.260\) | \(\:CA\:NA\) | ||
Angles parameters | ||||
|---|---|---|---|---|
\(\:{K}_{a}\left(\frac{ev}{{rad}^{2}}\right)\) | \(\:{\theta}_{0}\) | Description | ||
\(\:1.46619\) | \(\:{\uppi\:}\) | \(\:C2\:C2\:CA\) | ||
\(\:1.34141\) | \(\:2{\uppi\:}/3\) | \(\:C2\:CA\:CA\) | ||
\(\:1.34141\) | \(\:2{\uppi\:}/3\) | \(\:CA\:CA\:CA\) | ||
\(\:1.12304\) | \(\:2{\uppi\:}/3\) | \(\:CA\:CA\:H\) | ||
\(\:1.34141\) | \(\:2{\uppi\:}/3\) | \(\:CA\:CA\:NA\) | ||
\(\:1.34141\) | \(\:0.638{\uppi\:}\) | \(\:CA\:NA\:CA\) | ||
Dihedrals parameters | Â | Â | Â | Â |
|---|---|---|---|---|
\(\:{K}_{d1}\left(ev\right)\) | \(\:{K}_{d2}\left(ev\right)\) | \(\:{K}_{d3}\left(ev\right)\) | \(\:{K}_{d4}\left(ev\right)\) | Description |
\(\:0\) | \(\:0.000043\) | \(\:0\) | \(\:0\) | \(\:CA\:C2\:C2\:CA\) |
\(\:0\) | \(\:0.000043\) | \(\:0\) | \(\:0\) | \(\:C2\:C2\:CA\:CA\) |
\(\:0\) | \(\:0.650451\) | \(\:0\) | \(\:0\) | \(\:C2\:CA\:CA\:CA\) |
\(\:0\) | \(\:0.650451\) | \(\:0\) | 00 | \(\:C2\:CA\:CA\:H\) |
\(\:-0.0403\) | \(\:0.208144\) | \(\:0\) | \(\:0\) | \(\:CA\:CA\:CA\:NA\) |
\(\:0\) | \(\:0.234379\) | 0.046 | \(\:0\) | \(\:CA\:CA\:CA\:H\) |
\(\:0.0433\) | \(\:0.650451\) | \(\:0\) | \(\:0\) | \(\:CA\:CA\:CA\:NA\) |
\(\:0\) | \(\:0.390271\) | \(\:0\) | \(\:0\) | \(\:H\:CA\:CA\:H\) |
\(\:0\) | \(\:0.650451\) | \(\:0\) | \(\:0\) | \(\:H\:CA\:CA\:NA\) |
\(\:0\) | \(\:0.433634\) | \(\:0\) | \(\:0\) | \(\:NA\:CA\:CA\:NA\) |
\(\:0\) | \(\:0.433634\) | \(\:0\) | \(\:0\) | \(\:CA\:CA\:NA\:CA\) |
