Electronic Structure of Wet DNA

Luigi Gervasio, Francesco; Carloni, Paolo; Parrinello, Michele

doi:10.1103/physrevlett.89.108102

Public

Electronic Structure of Wet DNA

Published in Physical Review Letters • Aug 15, 2002

Authors:

Francesco Luigi Gervasio

Paolo Carloni

Michele Parrinello

Abstract

The electronic properties of a $Z$-DNA crystal synthesized in the laboratory are investigated by means of density-functional theory Car-Parrinello calculations. The electronic structure has a gap of only 1.28 eV. This separates a manifold of 12 occupied states which came from the $\ensuremath{\pi}$ ...

Subject

Atomic orbital

Anisotropy

Electronic structure

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