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

Contreras-García, J, Johnson, ER, Keinan, S, Chaudret, R, Piquemal, J-P, Beratan, DN, and Yang, W. "NCIPLOT: a program for plotting non-covalent interaction regions." Journal of Chemical Theory and Computation 7.3 (March 2011): 625-632. Full Text

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)

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

Venkatramani, R, Davis, KL, Wierzbinski, E, Bezer, S, Balaeff, A, Keinan, S, Paul, A, Kocsis, L, Beratan, DN, Achim, C, and Waldeck, DH. "Evidence for a near-resonant charge transfer mechanism for double-stranded peptide nucleic acid." Journal of the American Chemical Society 133.1 (January 2011): 62-72. Full Text

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." The Journal of Physical Chemistry C 114.48 (December 9, 2010): 20496-20502. Full Text

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

Ben-Moshe, V, Nitzan, A, Skourtis, SS, and Beratan, DN. "Steady-State Theory of Current Transfer." The Journal of Physical Chemistry C 114.17 (May 6, 2010): 8005-8013. Full Text Open Access Copy

Pages