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

De Mey, K., et al. “Analysis of the unusual wavelength dependence of the first hyperpolarizability of porphyrin derivatives.” Proceedings of Spie  the International Society for Optical Engineering, vol. 7774, Oct. 2010. Scopus, doi:10.1117/12.859819. Full Text

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

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

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

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