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

Zuber, Gérard, et al. “Systematic assignment of the configuration of flexible natural products by spectroscopic and computational methods: the bistramide C analysis.Organic Letters, vol. 7, no. 23, Nov. 2005, pp. 5269–72. Epmc, doi:10.1021/ol052154v. Full Text

Lin, Jianping, et al. “The nature of aqueous tunneling pathways between electron-transfer proteins.Science (New York, N.Y.), vol. 310, no. 5752, Nov. 2005, pp. 1311–13. Epmc, doi:10.1126/science.1118316. Full Text

Zuber, Gérard, et al. “Assignment of the absolute configuration of [n]-ladderanes by TD-DFT optical rotation calculations.Chirality, vol. 17, no. 8, Oct. 2005, pp. 507–10. Epmc, doi:10.1002/chir.20190. Full Text

Lee, J., et al. “Charge transfer through chemisorbed organic molecules - Neutralization of ionization processes at local sites in the molecule.” Chemical Physics Letters, vol. 412, no. 1–3, Aug. 2005, pp. 171–75. Scopus, doi:10.1016/j.cplett.2005.05.101. Full Text

Zheng, Jieru, et al. “Generalized Mulliken-Hush analysis of electronic coupling interactions in compressed pi-stacked porphyrin-bridge-quinone systems.Journal of the American Chemical Society, vol. 127, no. 32, Aug. 2005, pp. 11303–10. Epmc, doi:10.1021/ja050984y. Full Text

Winkler, J. R., et al. Electron Transfer through Proteins. May 2005, pp. 15–33. Scopus, doi:10.1002/352760376X.ch2. Full Text

Zuber, Gérard, et al. “Towards Raman optical activity calculations of large molecules.Chemphyschem : A European Journal of Chemical Physics and Physical Chemistry, vol. 6, no. 4, Apr. 2005, pp. 595–97. Epmc, doi:10.1002/cphc.200400544. Full Text

Lin, Jianping, and David N. Beratan. “Simulation of electron transfer between cytochrome C2 and the bacterial photosynthetic reaction center: Brownian dynamics analysis of the native proteins and double mutants.The Journal of Physical Chemistry. B, vol. 109, no. 15, Apr. 2005, pp. 7529–34. Epmc, doi:10.1021/jp045417w. Full Text

Skourtis, Spiros S., et al. “Protein dynamics and electron transfer: electronic decoherence and non-Condon effects.Proceedings of the National Academy of Sciences of the United States of America, vol. 102, no. 10, Mar. 2005, pp. 3552–57. Epmc, doi:10.1073/pnas.0409047102. Full Text

Prytkova, Tatiana R., et al. “Ab initio based calculations of electron-transfer rates in metalloproteins.The Journal of Physical Chemistry. B, vol. 109, no. 4, Feb. 2005, pp. 1618–25. Epmc, doi:10.1021/jp0457491. Full Text