Supporting Information for ”Optical Identification of a DNA-Wrapped Carbon Nanotube: Signs of Helically Broken Symmetry” by S. E. Snyder, S. V. Rotkin
نویسندگان
چکیده
The cause of helical symmetry breaking of the nanotube is a combination of the Coulomb potentials of the partial charges of the atoms of single stranded DNA and the electrons on the SWNT itself, moving in the field of the DNA. Table 1 shows partial atomic charges for a specific DNA base. Since many atomic charges are small and partially cancel the effects of nearby charges, we often approximate the effect of (A) all atomic charges with (B)regularly spaced point charges having the same net charge as an ionized phosphate group from CHARMM.
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Optical identification of a DNA-wrapped carbon nanotube: signs of helically broken symmetry.
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