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

Hu, Xiangqian, et al. “A gradient-directed Monte Carlo approach for protein design.Journal of Computational Chemistry, vol. 31, no. 11, Aug. 2010, pp. 2164–68. Epmc, doi:10.1002/jcc.21506. Full Text

Xing, Yangjun, et al. “Optimizing single-molecule conductivity of conjugated organic oligomers with carbodithioate linkers.Journal of the American Chemical Society, vol. 132, no. 23, June 2010, pp. 7946–56. Epmc, doi:10.1021/ja909559m. Full Text Open Access Copy

Ben-Moshe, V., et al. “Steady-state theory of current transfer.” Journal of Physical Chemistry C, vol. 114, no. 17, May 2010, pp. 8005–13. Scopus, doi:10.1021/jp100661f. Full Text Open Access Copy

Hammill, Jared T., et al. “Synthesis and chemical diversity analysis of bicyclo[3.3.1]non-3-en-2-ones.Tetrahedron, vol. 66, no. 31, Mar. 2010, pp. 5852–62. Epmc, doi:10.1016/j.tet.2010.04.112. Full Text

Hu, X., et al. “Predicting the frequency dispersion of electronic hyperpolarizabilities on the basis of absorption data and thomas-kuhn sum rules.” Journal of Physical Chemistry C, vol. 114, no. 5, Feb. 2010, pp. 2349–59. Scopus, doi:10.1021/jp911556x. Full Text Open Access Copy

Skourtis, Spiros S., et al. “Fluctuations in biological and bioinspired electron-transfer reactions.Annual Review of Physical Chemistry, vol. 61, Jan. 2010, pp. 461–85. Epmc, doi:10.1146/annurev.physchem.012809.103436. Full Text

Rinderspacher, B. Christopher, et al. “Discrete Optimization of Electronic Hyperpolarizabilities in a Chemical Subspace.Journal of Chemical Theory and Computation, vol. 5, no. 12, Dec. 2009, pp. 3321–29. Epmc, doi:10.1021/ct900325p. Full Text

Lin, Zhiwei, et al. “Modulating unimolecular charge transfer by exciting bridge vibrations.Journal of the American Chemical Society, vol. 131, no. 50, Dec. 2009, pp. 18060–62. Epmc, doi:10.1021/ja907041t. Full Text Open Access Copy

Hu, X., et al. “Emergent strategies for inverse molecular design.” Science in China, Series B: Chemistry, vol. 52, no. 11, Nov. 2009, pp. 1769–76. Scopus, doi:10.1007/s11426-009-0260-3. Full Text

Beratan, David N., et al. “Steering electrons on moving pathways.Accounts of Chemical Research, vol. 42, no. 10, Oct. 2009, pp. 1669–78. Epmc, doi:10.1021/ar900123t. Full Text