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

Bloom, BP, Zhao, L-B, Wang, Y, Waldeck, DH, Liu, R, Zhang, P, and Beratan, DN. "Ligand-Induced Changes in the Characteristic Size-Dependent Electronic Energies of CdSe Nanocrystals." JOURNAL OF PHYSICAL CHEMISTRY C 117.43 (October 31, 2013): 22401-22411. Full Text

Lin, J, Hu, X, Zhang, P, Van Rynbach, A, Beratan, DN, Kent, CA, Mehl, BP, Papanikolas, JM, Meyer, TJ, Lin, W, Skourtis, SS, and Constantinou, M. "Triplet Excitation Energy Dynamics in Metal-Organic Frameworks." JOURNAL OF PHYSICAL CHEMISTRY C 117.43 (October 31, 2013): 22250-22259. Full Text

Jiang, N, Kuznetsov, A, Nocek, JM, Hoffman, BM, Crane, BR, Hu, X, and Beratan, DN. "Distance-independent charge recombination kinetics in cytochrome c-cytochrome c peroxidase complexes: compensating changes in the electronic coupling and reorganization energies." J Phys Chem B 117.31 (August 8, 2013): 9129-9141. Full Text

Wierzbinski, E, Venkatramani, R, Davis, KL, Bezer, S, Kong, J, Xing, Y, Borguet, E, Achim, C, Beratan, DN, and Waldeck, DH. "The single-molecule conductance and electrochemical electron-transfer rate are related by a power law." ACS Nano 7.6 (June 25, 2013): 5391-5401. Full Text

Virshup, AM, Contreras-García, J, Wipf, P, Yang, W, and Beratan, DN. "Stochastic voyages into uncharted chemical space produce a representative library of all possible drug-like compounds." J Am Chem Soc 135.19 (May 15, 2013): 7296-7303. Full Text

Wang, Y, King, JR, Wu, P, Pelzman, DL, Beratan, DN, and Toone, EJ. "Enthalpic signature of methonium desolvation revealed in a synthetic host-guest system based on cucurbit[7]uril." J Am Chem Soc 135.16 (April 24, 2013): 6084-6091. Full Text

De Vleeschouwer, F, Yang, W, Beratan, DN, Geerlings, P, and De Proft, F. "Inverse design of molecules with optimal reactivity properties: acidity of 2-naphthol derivatives." Phys Chem Chem Phys 14.46 (December 14, 2012): 16002-16013. Full Text

Beratan, DN, and Onuchic, JN. "Redox redux." Phys Chem Chem Phys 14.40 (October 28, 2012): 13728-. Full Text

Keinan, S, Nocek, JM, Hoffman, BM, and Beratan, DN. "Interfacial hydration, dynamics and electron transfer: multi-scale ET modeling of the transient [myoglobin, cytochrome b5] complex." Phys Chem Chem Phys 14.40 (October 28, 2012): 13881-13889. Full Text

Wierzbinski, E, de Leon, A, Yin, X, Balaeff, A, Davis, KL, Rapireddy, S, Venkatramani, R, Keinan, S, Ly, DH, Madrid, M, Beratan, DN, Achim, C, and Waldeck, DH. "Correction to effect of backbone flexibility on charge transfer rates in Peptide nucleic Acid duplexes." J Am Chem Soc 134.31 (August 8, 2012): 13141-. Full Text