Faculty Profiles

David N. Beratan
R.J. Reynolds Distinguished Professor of Chemistry
5311 French Science Center, Durham, NC 27708
(919) 660-1526
(919 660-1605



Ph.D., California Institute of Technology 1986

B.S., Duke University 1980

Research Areas:
Theoretical, Physical, Biomolecular Structure and Function, Biological, Education, Inorganic, Nanoscience and Materials

Priyadarshy, S., et al. “DNA is not a molecular wire: Protein-like electron-transfer predicted for an extended π-electron system.” Journal of Physical Chemistry, vol. 100, no. 44, Oct. 1996, pp. 17678–82. Scopus, doi:10.1021/jp961731h. Full Text

Kuhn, C., and D. N. Beratan. “Inverse strategies for molecular design.” Journal of Physical Chemistry, vol. 100, no. 25, June 1996, pp. 10595–99. Scopus, doi:10.1021/jp960518i. Full Text

Priyadarshy, S., et al. “Bridge-mediated electronic interactions: Differences between Hamiltonian and Green function partitioning in a non-orthogonal basis.” Journal of Chemical Physics, vol. 104, no. 23, June 1996, pp. 9473–81. Scopus, doi:10.1063/1.471690. Full Text

Skourtis, S. S., et al. “A method to analyze multi-pathway effects on protein mediated donor-acceptor coupling interactions.” Inorganica Chimica Acta, vol. 243, no. 1–2, Feb. 1996, pp. 167–75. Scopus, doi:10.1016/0020-1693(96)04904-3. Full Text

Priyadarshy, S., et al. “Acetylenyl-linked, porphyrin-bridged, donor-acceptor molecules: A theoretical analysis of the molecular first hyperpolarizability in highly conjugated push-pull chromophore structures.” Journal of the American Chemical Society, vol. 118, no. 6, Feb. 1996, pp. 1504–10. Scopus, doi:10.1021/ja952690q. Full Text

Zusman, L. D., and D. N. Beratan. “Two-electron transfer reactions in polar solvents.” Journal of Chemical Physics, vol. 105, no. 1, Jan. 1996, pp. 165–76. Scopus, doi:10.1063/1.471862. Full Text

Kurnikov, I. V., and D. N. Beratan. “Ab initio based effective Hamiltonians for long-range electron transfer: Hartree-Fock analysis.” Journal of Chemical Physics, vol. 105, no. 21, Jan. 1996, pp. 9561–73. Scopus, doi:10.1063/1.472788. Full Text

Aquino, A. J. A., et al. “Docking and electron transfer between cytochrome c2 and the photosynthetic reaction center.” Chemical Physics, vol. 197, no. 3, Aug. 1995, pp. 277–88. Scopus, doi:10.1016/0301-0104(95)00099-A. Full Text

Curry, W. B., et al. “Pathways, pathway tubes, pathway docking, and propagators in electron transfer proteins.Journal of Bioenergetics and Biomembranes, vol. 27, no. 3, June 1995, pp. 285–93. Epmc, doi:10.1007/bf02110098. Full Text

Risser, S. M., and D. N. Beratan. “What is the anharmonicity of a molecule's electronic wave function?Journal of Physical Chemistry, vol. 99, no. 7, Jan. 1995, pp. 1935–42. Scopus, doi:10.1021/j100007a024. Full Text