Chemistry, Ames Laboratory
Journal or Book Title
Journal of Physical Chemistry A
Hydrogen-bonded and stacked structures of adenine–thymine and guanine–cytosine nucleotide base pairs, along with their methylated analogues, are examined with the ab inito based general effective fragment potential (EFP2) method. A comparison of coupled cluster with single, double, and perturbative triple (CCSD(T)) energies is presented, along with an EFP2 energy decomposition to illustrate the components of the interaction energy.
American Chemical Society
Smith, Quentin Anthony; Gordon, Mark S.; and Slipchenko, Lyudmila V., "Effective Fragment Potential Study of the Interaction of DNA Bases" (2011). Chemistry Publications. 552.