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

Kawatsu, Tsutomu, et al. “Conformationally averaged score functions for electronic propagation in proteins.The Journal of Physical Chemistry. B, vol. 110, no. 11, Mar. 2006, pp. 5747–57. Epmc, doi:10.1021/jp052194g. Full Text

Goldsmith, Michael-Rock, et al. “The chiroptical signature of achiral metal clusters induced by dissymmetric adsorbates.Physical Chemistry Chemical Physics : Pccp, vol. 8, no. 1, Jan. 2006, pp. 63–67. Epmc, doi:10.1039/b511563a. Full Text

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