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

Yue, Y, Grusenmeyer, T, Ma, Z, Zhang, P, Pham, TT, Mague, JT, Donahue, JP, Schmehl, RH, Beratan, DN, and Rubtsov, IV. "Evaluating the extent of intramolecular charge transfer in the excited states of rhenium(I) donor-acceptor complexes with time-resolved vibrational spectroscopy." The Journal of Physical Chemistry. B 117.49 (December 2013): 15903-15916. Full Text

Wang, Y, King, JR, Wu, P, Pelzman, DL, Beratan, DN, and Toone, EJ. "Correction to "Enthalpic Signature of Methonium Desolvation Revealed in a Synthetic Host-Guest System Based on Cucurbit[7]uril"." J Am Chem Soc 135.46 (November 20, 2013): 17650-. Full Text

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." The 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." The Journal of Physical Chemistry. B 117.31 (August 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 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." Journal of the American Chemical Society 135.19 (May 2, 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