Campus Units

Chemistry, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

8-2011

Journal or Book Title

Journal of Physical Chemistry A

Volume

115

Issue

41

First Page

11269

Last Page

11276

DOI

10.1021/jp2047954

Abstract

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.

Comments

Reprinted (adapted) with permission from Journal of Physical Chemistry A 115 (2011): 11269, doi:10.1021/jp2047954. Copyright 2011 American Chemical Society.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

Included in

Chemistry Commons

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