Theoretical Study of Proton Transfers Between Base Pairs of DNA

Document Type

Article

Journal/Book Title/Conference

Chemical Physics Letters

Volume

57

Issue

3

Publisher

Elsevier BV

Publication Date

8-1-1978

First Page

331

Last Page

333

Abstract

Single and multiple proton transfers between the bases guanine and cytosine and between adenine and thymine are studied using the LCAO SCF all-electron PRDDO method. Single proton transfers are found to lead to single-well potentials while double transfers are characterized by double-well potentials.

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