Faculty Profiles

David N. Beratan
R.J. Reynolds Professor of Chemistry
Office: 
5311 French Science Center, Durham, NC 27708
Phone: 
(919) 660-1526
Fax: 
(919 660-1605

Overview

Education:

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

Beratan, DN, Naaman, R, and Waldeck, DH. "Topics in Current Chemistry: Preface." Topics in Current Chemistry 298 (2011): ix-x.

Ben-Moshe, V, Beratan, DN, Nitzan, A, and Skourtis, SS. "Chiral control of current transfer in molecules." Top Curr Chem 298 (2011): 259-278. (Review) Full Text

Venkatramani, R, Keinan, S, Balaeff, A, and Beratan, DN. "Electron transfer in nucleic acids: Black, white, and gray." Coord. Chem. Revs. 255 (2011): 635-648. (Academic Article)

Skourtis, S, Beratan, DN, and Waldeck, DH. "Coherence in electron tunneling pathways." Procedia Chemistry 3 (2011): 99-104. (Academic Article)

Hu, X, Hu, H, Beratan, DN, and Yang, W. "A gradient-directed Monte Carlo approach for protein design." J Comput Chem 31.11 (August 2010): 2164-2168. Full Text

Xing, Y, Park, T-H, Venkatramani, R, Keinan, S, Beratan, DN, Therien, MJ, and Borguet, E. "Optimizing single-molecule conductivity of conjugated organic oligomers with carbodithioate linkers." J Am Chem Soc 132.23 (June 16, 2010): 7946-7956. Full Text Open Access Copy

Keinan, S, Venkatramani, R, Balaeff, A, and Beratan, DN. "Is MD geometry sampling sufficient for nucleobase electronic structure analysis of et reactions? Comparing classical MD and QM/MM methods." Journal of Physical Chemistry C 114.48 (2010): 20496-20502. Full Text

Hammill, JT, Contreras-García, J, Virshup, AM, Beratan, DN, Yang, W, and Wipf, P. "Synthesis and chemical diversity analysis of bicyclo[3.3.1]non-3-en-2-ones." Tetrahedron 66.31 (2010): 5852-5862. Full Text

Hu, X, Xiao, D, Keinan, S, Asselberghs, I, Therien, MJ, Clays, K, Yang, W, and Beratan, DN. "Predicting the frequency dispersion of electronic hyperpolarizabilities on the basis of absorption data and thomas-kuhn sum rules." Journal of Physical Chemistry C 114.5 (2010): 2349-2359. Full Text Open Access Copy

Ben-Moshe, V, Nitzan, A, Skourtis, SS, and Beratan, DN. "Steady-state theory of current transfer." Journal of Physical Chemistry C 114.17 (2010): 8005-8013. Full Text Open Access Copy

Pages