Faculty Profiles

David N. Beratan
R.J. Reynolds 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

Mey, KD, Clays, K, Therien, MJ, Beratan, DN, and Asselberghs, I. "Analysis of the unusual wavelength dependence of the first hyperpolarizability of porphyrin derivatives." Proceedings of SPIE - The International Society for Optical Engineering 7774 (2010). Full Text

Lin, Z, Lawrence, CM, Xiao, D, Kireev, VV, Skourtis, SS, Sessler, JL, Beratan, DN, and Rubtsov, IV. "Modulating unimolecular charge transfer by exciting bridge vibrations." J Am Chem Soc 131.50 (December 23, 2009): 18060-18062. Full Text Open Access Copy

Beratan, DN, Skourtis, SS, Balabin, IA, Balaeff, A, Keinan, S, Venkatramani, R, and Xiao, D. "Steering electrons on moving pathways." Acc Chem Res 42.10 (October 20, 2009): 1669-1678. (Review) Full Text

Yuan, L, Seo, J-S, Kang, NS, Keinan, S, Steele, SE, Michelotti, GA, Wetsel, WC, Beratan, DN, Gong, Y-D, Lee, TH, and Hong, J. "Identification of 3-hydroxy-2-(3-hydroxyphenyl)-4H-1-benzopyran-4-ones as isoform-selective PKC-zeta inhibitors and potential therapeutics for psychostimulant abuse." Mol Biosyst 5.9 (September 2009): 927-930. Full Text

Balabin, IA, Yang, W, and Beratan, DN. "Coarse-grained modeling of allosteric regulation in protein receptors." Proc Natl Acad Sci U S A 106.34 (August 25, 2009): 14253-14258. Full Text

Mukhopadhyay, P, Wipf, P, and Beratan, DN. "Optical signatures of molecular dissymmetry: combining theory with experiments to address stereochemical puzzles." Acc Chem Res 42.6 (June 16, 2009): 809-819. Full Text

Paul, A, Bezer, S, Venkatramani, R, Kocsis, L, Wierzbinski, E, Balaeff, A, Keinan, S, Beratan, DN, Achim, C, and Waldeck, DH. "Role of nucleobase energetics and nucleobase interactions in single-stranded peptide nucleic acid charge transfer." J Am Chem Soc 131.18 (May 13, 2009): 6498-6507. Full Text

Xiao, D, Skourtis, SS, Rubtsov, IV, and Beratan, DN. "Turning charge transfer on and off in a molecular interferometer with vibronic pathways." Nano Lett 9.5 (May 2009): 1818-1823. Full Text

Rinderspacher, BC, Andzelm, J, Rawlett, A, Dougherty, J, Beratan, DN, and Yang, W. "Discrete optimization of electronic hyperpolarizabilities in a chemical subspace." Journal of Chemical Theory and Computation 5.12 (2009): 3321-3329. Full Text