Journal
CHEMICAL PHYSICS LETTERS
Volume 484, Issue 4-6, Pages 295-298Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2009.11.068
Keywords
-
Ask authors/readers for more resources
The accuracy of the semiempirical molecular orbital method PM3 with dispersive corrections (PM3-D, PM3-D*), for computing the interaction energy of nucleic acid bases with graphene and single-wall carbon nanotubes has been assessed by comparison with dispersion corrected density functional theory (DFT-D) and with MP2 data. This semiempirical approach is shown to be considerably more accurate and cost effective than many pure density functionals. (C) 2009 Elsevier B. V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available