Publications of David N. Beratan

Papers Published

  1. P. Mukhopadhyay, G. Zuber, P. Wipf, and D.N. Beratan, "Contribution of a solute's chiral solvent imprint to optical rotation", Angew.Chemie.Int.Ed., 2007(46), 6450-6452.
  2. T.R. Prytkova, I.V. Kurnikov and D.N. Beratan, "Coupling coherence distinguishes structure sensitivity in protein electron transfer", Science, 2007(315), 622-625.
  3. S.S. Skourtis and D.N. Beratan, "Photosynthesis from the protein’s perspective", Science, 2007(316), 703-704.
  4. T.R. Prytkova, S.S. Skourtis and D.N. Beratan, "Photoselected electron transfer pathways in DNA photolyase", Proc. Natl. Acad. Sci. USA, 2007(104), 802-807.
  5. S. Keinan, X. Hu, D.N. Beratan and W. Yang, "Designing molecules with optimal properties using the linear combination of atomic potentials approach in an AM1 semiempirical framework", J.Phys.Chem.A, 2007(111), 176-181.
  6. A. Zollner, M.A. Pasquinelli, R. Bernhardt and D.N. Beratan, "Protein phosphorylation and intermolecular electron transfer: a Joint experimental and computational study of a hormone biosynthesis pathway", J.Am. Chem. Soc., 2007(129), 4206-4216.

Papers Accepted

  1. Gerard Zuber, Peter Wipf, and D.N. Beratan, "Exploring the Chiral Information of the Optical Activity Tensor by Anisotropic Rayleigh Optical Activity Scattering", ChemPhysChem, 2007.
  2. D.N. Beratan and I.A. Balabin, "The shortest electronic distance between two hemes is not a straight line", Proc. Natl. Acad. Sci. USA, 2007.

Papers Submitted

  1. D. Xiao, W. Yang and D.N. Beratan, "Inverse molecular design in a tight-binding framework", J. Chem. Phys, 2007.
  2. J.M. Parks, R.K. Kondru, H. Hua, D.N. Beratan and W. Yang, "Nature of ligand binding in hepatitis C virus NS5B polymerase: Important roles of the internal energy and van der Waals interactions from QM/MM calculations", J.Phys.Chem.B, 2007.

Journal Articles

  1. M. Wang, X. Hu, D.N. Beratan and W. Yang, "Designing Molecules by Optimizing Potentials", J.Am.Chem.Soc., 2006, 128, 3228-3232 [pdf].
  2. T. Kawatsu, D.N. Beratan, and T. Kakitani, "Conformationally Averaged Score Functions for Electronic Propagation in Proteins", J. Phys.Chem. B, 2006, 110, 5747-5757 [pdf].
  3. T. Kawatsu and D.N. Beratan, "Electron Transfer between Cofactors in Protein Domains Linked by a Flexible Tether", Chem. Phys., 2006, 326, 259-269 [pdf].
  4. D. Kazmin, T. Prytkova, C.E. Cook, R. Wolfinger, T. Chu, D. Beratan, C. Chang and D.P. McDonnell, "Linking Ligand Induced Alterations in Androgen Receptor Structure to Differential Gene Expression; A First Step in the Rational Design of Selective Androgen Receptor Modulations", Mol. Endocrinol., 2006, 20, 1201-1217 [1201].
  5. M. R. Goldsmith, C.B. George, G. Zuber, D.N. Beratan, D.H. Waldeck and R. Naaman,, "The Chiroptical Signature of Archiral Metal Clusters Induced by Dissymmetric Adsorbates", Physical Chemistry Chemical Physics, 2006, 8, 63-67 [article.asp].
  6. J. Lin, I.A. Balabin and D.N. Beratan, "Water -mediated tunneling between proteins", Science, 2005, 310, 1311-1313 [pdf].
  7. G. Zuber, M. R. Goldsmith, T.D. Hopkins, D.N. Beratan and P. Wipf, "Systematic assignment of the configuration of flexible natural products by spectroscopic and computational methods: The Bistramide C Analysis", Org. Lett., 2005, 7, 5269-5272 [pdf].
  8. G. Zuber, M.R. Goldsmith, D.N. Beratan and P. Wipf, "Towards Raman optical activity calculations of large molecules", ChemPhysChem, 2005, 6, 595-597 [PDFSTART].
  9. M. Galperin and D.N. Beratan, "Simulation of STM images of 1,4 cyclohexadiene bound to a silicon surface", J. Phys. Chem B, 2005, 109, 1473-1480 [pdf].
  10. T. Prytkova, I.V. Kurnikov and D.N. Beratan, "Ab Initio Based Calculations of Electron-Transfer Rates in Metalloproteins", J. Phys. Chem. B, 2005, 109, 1618-1625 [pdf].
  11. S.S. Skourtis, I.A. Balabin, T. Kawatsu and D.N. Beratan, "Protein dynamics and electron transfer: electronic decoherence and non-Condon effects", Proc. Natl. Acad. Sci. USA, 2005, 102, 3552-3557 [3552].
  12. J. Lin and D.N. Beratan, "Simulation of electron transfer between cytochrome c2 and the bacterial photosynthetic reaction center: Brownian dynamics analysis of the native protein and double mutants", J. Phys. Chem. B, 2005, 109, 7529-7534 [pdf].
  13. J. Lee, I. Balabin, D.N. Beratan, J-G Lee and J.T. Yates, Jr., "Charge transfer through chemisorbed organic molecules - neutralization of ionization processes at local sites in the molecule", Chem. Phys. Lett., 2005, 412, 171-175 [pdf].
  14. J. Zheng, Y.K. Kang, M.J. Therien and D.N. Beratan, "Generalized Mulliken-Hush Analysis of Electronic Coupling Interactions in Compressed - Stacked Porphyrin- Bridge-Quinon Systems", J. Am. Chem. Soc., 2005, 127, 11303-11310 [pdf].
  15. G. Zuber, M.R. Goldsmith, D.N. Beratan and P. Wipf, "Assignment of the Absolute Configuration of [n]-Ladderanes by TD-DFT Optical Rotation Calculations", Chirality, 2005, 17, 507-510 [PDFSTART].
  16. Z-X . Liang, I.V. Kurnikov, J.M. Nocek, A.G. Mauk, D.N. Beratan, and B.M. Hoffman, "Electron transfer between cytochrome b5 and a suite of myoglobin surface-charge mutants; Introduction of a funtional-docking algorithm for dynamically-docked protein-protein complexes", J. Am. Chem. Soc., 2004, 126, 2785-2798 [pdf].
  17. I.V. Rubtsov, Y.K. Kang, N.P. Redmore, R.M. Allen, J. Zheng, D.N. Beratan, and M.J. Therien, "The Degree of Charge Transfer in Ground and Charge-Seperated States Revealed by Ultrafast Visible Pump / Mid-IR Probe Spectroscopy", J. Am. Chem. Soc., 2004, 126, 5022-5023 [pdf].
  18. Y.A. Berlin, I.V. Kurnikov, M.A. Ratner, A.L. Burin and D.N. Beratan, "DNA electron transfer processes: Some theoretical notions", Top. Curr. Chem., 2004, 237, 1-36.
  19. J. Lin and D.N. Beratan, "Tunneling while Pulling: The dependence of tunneling current on end-to-end distance in a flexible molecule", J. Phys. Chem. B, 2004, 108, 5655-5661.
  20. J-L. Liao and D. N. Beratan, "The How does protein architecture facilitate the transduction of ATP chemical-bond energy into mechanical work? The cases of nitrogenase and ATP binding cassette proteins", Biophysical Journal, 2004, 87, 1369-1377 [1369].
  21. J.L Perry, M.R. Goldsmith, M. Peterson, D.N. Beratan, G. Wozniak, F. Ruker, M. Docckal, J.D. Simon, "Structure of the ochratoxin A binding site within human serum albumin", J. Phys. Chem. B, 2004, 108, 16960-16964 [pdf].
  22. S.S. Skourtis, D.H. Waldeck, and D.N. Beratan, "Loss of Pathway Coherence in Inelastic Bridge-mediated Electron Transfer", J. Phys. Chem. B, 2004, 108, 15511-15518 [pdf].
  23. J.L. Perry, T. Christensen, M.R. Goldsmith, E.J. Toone, D.N. Beratan, and J.D. Simon, "A protein-ligand ion pair stabilizes the binding of Ochratoxin A to human serum albumin", J. Phys. Chem. B., 2003, 107, 7884-7888.
  24. M. R. Goldsmith, Nilu Jayasuriya, D.N. Beratan, and Peter Wipf, "Optical rotation of non-covalent aggregates", J. Am. Chem. Soc., 2003, 125, 15696-15697 [pdf].
  25. I.V. Kurnikov, G.S.M. Tong, M. Madrid, and D.N. Beratan, "Hole size in oxidized double helical DNA: Competition between quantum delocalization and solvation localization energies", J. Phys. Chem. B, 2002, 106, 7-10 [pdf].
  26. Z-X, Liang, J.M. Nocek, K.H. Huang, R.T. Hayes, I.V. Kurnikov, D.N. Beratan, and B.M. Hoffman, "Dynamic docking and electron transfer between Zn-myoglobin and cytochrome b5", J. Am. Chem. Soc., 2002, 124, 6849-6859 [pdf].
  27. G.S.M. Tong, I.V. Kurnikov, and D.N. Beratan, "Tunneling energy effects on GC oxidation in DNA", J. Phys. Chem. B, 2002, 106, 2381-2392 [pdf].
  28. M. Jones, I.V. Kurnikov, and D.N. Beratan, "The nature of tunneling pathway and average packing density models for protein-mediated electron transfer", J. Phys. Chem. A., 2002, 106, 2002-2006 [pdf].
  29. F.D. Lewis, J. Liu, W. Weigel, W. Retting, I.V. Kurnikov, and D.N. Beratan, "Tunneling energy controls DNA electron transfer distance dependence", Proc. Natl. Acad. Sci. (USA), 2002, 99, 12536-12541 [12536].
  30. K.M. Specht, J. Nam, D.M. Ho, N. Berova, R.K. Kondru, D.N. Beratan, P. Wipf, R.A. Pascal Jr., D. Kahne, "Determining absolute configuration in flexible molecules: a case study", J. Am. Chem. Soc., 2001, 123, 8961-8966 [pdf].
  31. I.V. Kurnikov, A.K. Charnley, and D.N. Beratan, "From ATP to electron transfer: electrostatics and free energy transduction in nitrogenase", J. Phys. Chem. B., 2001, 105, 5359-5367 [pdf].
  32. T.L. Perry, A. Dickerson, A.A. Khan, M. Kelley, R.K. Kondru, D.N. Beratan, R.K. Kondru, P. Wipf, M.T. Hamann, "New peroxylactones from a Jamaican marine sponge of the genus Plakortis onkodes, with inhibitory activity against the AIDS opportunistic infection Toxoplasma gondii", Tetrahedron, 2001, 57, 1483-1487 [pdf].
  33. E. Babini, I. Bertini, M. Borsari, F. Capozzi, C. Luchinat, X.-Y. Zhang, G.L.C. Moura, I.V. Kurnikov, D.N. Beratan, A. Ponce, A.J. DiBilio, J.R. Winkler, and H.B. Gray, "Bond-mediated electron tunneling in ruthenium-modified high-potential iron-sulfur protein", J. Am. Chem. Soc., 2000, 122, 4532-4533 [pdf].
  34. R.K. Kondru, P. Wipf and D.N. Beratan, "Chiral action at a distance: Remote substituent effects on the optical activity of Calyculins A and B", Organic Letters, 2000, 2, 1509-1512 [pdf].
  35. Z-X. Liang, J.M. Nocek, I.V. Kurnikov, D.N. Beratan and B.M. Hoffman, "Electrostatic control of electron transfer between myoglobin and cytochrome b5: effect of methylating the heme propionates of Zn-myoglobin", J. Am. Chem. Soc., 2000, 122, 3552-3553 [pdf].
  36. S. Ribe, R.K. Kondru, D.N. Beratan, and P. Wipf, "Optical rotation computation, total synthesis, and stereochemistry assignment of the marine natural product Pitiamide A", J. Am. Chem. Soc., 2000, 122, 4608-4617 [pdf].
  37. M. Lee, M.J. Shephard, S.M. Risser, S. Priyadarshy, M.N. Paddon-Row, and D.N. Beratan, "The nature of tunnel splitting mediated by stacked aromatics", J. Phys. Chem. A., 2000, 104, 7593-7599 [pdf].
  38. R.K. Kondru, C.H.-T. Chen, D.P. Curran, P. Wipf and D.N. Beratan, "Determination of the absolute configuration of 1,3,5,7-tetramethyl-1,3-dihydroindol-2-one by optical rotation computation", Tetrahedron: Asymmetry, 1999, 10, 4143-4150 [pdf].
  39. R.K. Kondru, P. Wipf, and D.N. Beratan, "Structural and conformational dependent of optical rotation angles", J. Phys. Chem. A., 1999, 103, 6603-6611 [pdf].
  40. L.D. Zusman and D.N. Beratan, "Electron transfer in three-state systems", J. Chem. Phys., 1999, 110, 10468-10481 [GetPDFServlet].
  41. S.S. Skourtis and D.N. Beratan, "Theories of structure-function relationships for bridge-mediated electron transfer", in Adv. Chem. Phys., 1999, 106, 377-452 (Chapter 8.).
  42. R.K. Kondru, P. Wipf, and D.N. Beratan, "Atomic contributions to the optical rotation angle as a quantitative probe of molecular chirality", Science, 1998, 282, 2247-2250 [pdf].
  43. S. Priyadarshy, S.M. Risser, and D.N. Beratan, "DNA-mediated electron transfer", Journal of Biological Inorganic Chemistry (JBIC), 1998, 3, 196-200 [pdf].
  44. D.N. Beratan and S.S. Skourtis, "Electron transfer mechanisms", Current opinons in chemical biology, 1998, 2, 235-243 [pdf].
  45. R.K. Kondru, P. Wipf, and D.N. Beratan, "Theory assisted determination of absolute stereochemistry for complex natural products via computation of molar rotation angles", J. Am. Chem. Soc., 1998, 120, 2204-2205 [pdf].
  46. K. Kumar, Z. Lin, I.V. Kurnikov, D.N. Beratan, D.H. Waldeck, and M.B. Zimmt, "Use of modern theories to determine electronic coupling matrix elements in intramolecular systems", J. Phys. Chem. A., 1998, 102, 5529-5541 [pdf].
  47. L.D. Zusman and D.N. Beratan, "Electron transfer in the photosynthetic reaction center: mechanistic implications of mutagenesis studies", Spectrochim. Acta A, 1998, 54, 1211-1218 [pdf].
  48. A. Roitberg, M. Holden, M. Mayhew, I.V. Kurnikov, D.N. Beratan, and V. Vilker, "Binding and electron transfer between putidaredoxin and cytochrome P-450cam (pyp101). Theory and experiments", J. Am. Chem. Soc., 1998, 120, 8927-8932 [pdf].
  49. I.V. Kurnikov, L.D. Zusman, M. Kurnikova, R. Farid, and D.N. Beratan, "Structural fluctuations, spin, reoganization energy, and tunneling energy control of intramolecular electron transfer: the surprising case of electron transfer in a d8-d8 bimetallic system", J. Am. Chem. Soc., 1997, 119, 5690-5700 [pdf].
  50. L.D. Zusman and D.N. Beratan, "Structure of the electrical double layer in high-temperature superconductors: Origin of the dip in the double layer capacitance near the superconducting transition", J. Phys. Chem. B., 1997, 101, 7095-7099 [pdf].
  51. L.D. Zusman and D. N. Beratan, "A three-state model for two-electron transfer reactions", J. Phys. Chem. A., 1997, 101, 4136-4141 [pdf].
  52. S.S. Skourtis and D.N. Beratan, "High and low resolution theories of protein electron transfer", J Bioinorg Chem, 1997, 2, 378-386 [pdf].
  53. D.N. Beratan, S. Priyadarshy, and S.M. Risser, "DNA: wire or insulator?", Chemistry and Biology, 1997, 4, 3-8 [pdf].
  54. R.K. Kondru, S. Lim, P. Wipf, and D.N. Beratan, "Synthetic and model computational studies of optical angle additivity for interacting chiral centers: A reinvestigation of van't Hoff's principle", Chirality, 1997, 9, 468-477 [PDFSTART].
  55. J. Wolfgang, S.M. Risser, S. Priyadarshy, and D.N. Beratan, "Secondary structure conformations and long range electronic interactions in oligopeptides", J. Phys. Chem. B., 1997, 101, 2987-2991 [pdf].
  56. S.S. Skourtis and D.N. Beratan, "Electron transfer contact maps", J. Phys. Chem. B., 1997, 101, 1215-1234 [pdf].
  57. I.V. Kurnikov and D.N. Beratran, "Ab initio based effective hamiltonians for long-range electron transfer: Harree-Fock analysis", J. Chem. Phys., 1996, 105, 9561-9573 [GetPDFServlet].
  58. J.M. Nocek, J. Zhou, S. DeForest, S. Priyadarshy, D.N. Beratan, J.N. Onuchie, B.M. Hoffman, "Theory and Practice of Electron Transfer Within Protein-Protein Complexes: Application to the Multi-Domain Binding of Cytochrome ς by Cytochrome ς Peroxidase", Chem. Rev., 1996, 96, 2459-2489 [pdf].
  59. S. Priyadarshy, S.M. Risser, and D.N. Beratan, "DNA is not a molecular wire: protein-like electron transfer predicted in an extended pi-electron system", J. Phys. Chem, 1996, 100, 17678-17682 [pdf].
  60. S. Priyadarshy, S.M. Risser, and D.N. Beratan, "DNA double helix mediated long range electron transfer", Int. J. Quantum Chem. Quantun Biol. Symp., 1996, 60, 65-71.
  61. S. Priyadarshy, M.J. Therien, and D.N. Beratan, "Acetylenyl-linked, porphyrin-bridged, donor-acceptor molecules: a theoretical analysis of the molecular first hyperpolarizability in highly conjugated push-pull chromophore structures", J. Am. Chem. Soc., 1996, 118, 1504-1510 [pdf].
  62. S. Priyadarshy, S.S. Skourtis, S.M. Risser, and D.N. Beratan, "Bridge mediated electronic interactions: differences between Hamiltonian and Green function partitioning in a non-orthogonal basis", J. Chem. Phys., 1996, 104, 9473-9481 [GetPDFServlet].
  63. C. Kuhn and D.N. Beratan, "Inverse strategies for molecular design", J. Phys. Chem., 1996, 100, 10595-10599 [pdf].
  64. S.S. Skourtis, J.N. Onuchic, and D.N. Beratan, "A method to analyze multi-pathway effects on protein mediated donor-acceptor coupling interactions", Inorg. Chim. Acta, 1996, 243, 167-175.
  65. L.D. Zusman and D.N. Beratan, "Two electron transfer reactions in polar solvents", J. Chem. Phys., 1996, 105, 165-176 [GetPDFServlet].
  66. A.J.A. Auino, P. Beroza, D.N. Beratan, and J.N. Onuchic, "Docking and electron transfer between cytochrome c2 and the photosythetic reaction center", Chem Phys, 1995, 197, 277-288.
  67. W.B. Curry, M.D. Grabe, I.V. Kurnikov, S.S. Skourtis, D.N. Beratan, J.J. Regan, A.J.A. Aquino, P. Beroza, and J.N. Onuchic, "Pathways, pathway tubes, pathway docking and propagators in electron transfer proteins", J. Bioenerg. Biomemb., 1995, 27, 285-193.
  68. S.M. Risser and D.N. Beratan, "What is the anharmonicity of a molecule's electronic wave function?", J. Phys. Chem., 1995, 99, 1935-1942 [pdf].
  69. S.M. Risser, D.N. Beratan, and T.J. Meade, "Electron transfer in DNA: Predictions of both exponential growth and decay of coupling with distance", J. Am. Chem. Soc., 1993, 115, 2508-2510 [pdf].
  70. S.M. Risser, D.N. Beratan, and S.R. Marder, "Structure function relationships for ß, the first molecular hyperpolarizability", J. Am. Chem. Soc., 1993, 115, 7719-7728 [pdf].
  71. S.M. Risser, D.N. Beratan, and J.N. Onuchic, "Electronic coupling in starburst dendrimers", J. Phys. Chem., 1993, 97, 4523-4527 [pdf].
  72. D.H. Waldeck and D.N. Beratan, "Molecular Electronics: observation of Molecular Rectification", Science, 1993, 261, 576-577.
  73. S.S. Skourtis, D.N. Beratan, and J.N. Onuchic, "The two-state reduction for electron and hole transfer in bridge mediated electron-transfer reactions", Chem. Phys., 1993, 117, 501-520.
  74. J.J. Regan, S.M. Risser, D.N. Beratan, and J.N. Onuchic, "Protein electron transport: single versus multiple pathways", J. Phys. Chem., 1993, 97, 13083-13088 [pdf].
  75. D.N. Beratan, J.N. Onuchic, J.R. Winkler and HB Gray, "Electron tunneling pathways in proteins", Science, 1992, 258, 1740.
  76. D.N. Beratan, J.N. Betts, and J.N. Onuchic, "Tunneling pathway and redox state dependent electronic couplings at nearly fixed distance in electron transfer proteins", J. Phys. Chem., 1992, 96, 2852-2855 [pdf].
  77. J.N. Betts, D.N. Beratan, and J.N. Onuchic, "Mapping electron tunneling pathways: an algorithm that finds the 'minimum length'/maximum coupling pathway between electron donors and acceptors in proteins", J. Am. Chem. Soc, 1992, 114, 4043-4046 [pdf].
  78. J.N. Onuchic, D.N. Beratan, J.R. Winkler, H.B. Gray, "Pathway analysis of protein electron-transfer reactions", Ann. Rev. Biophys. Biomol. Struct., 1992, 21, 349-377 [annurev.bb.21.060192.002025].
  79. S.R. Marder, D.N. Beratan, and L-T. Cheng, "Structure/property relationships for molecular second-order nonlinear optics", American Institute of Physics Conference Proceedings, Molecular Electronics - Science and Technology, 1992, 262, 252-264, New York.
  80. D.N. Beratan, J.N. Betts, and J.N. Onuchic, "Protein electron transfer rates are predicted to be set by the bridging secondary and tertiary structure", Science, 1991, 252, 1285-1288.
  81. S.R. Marder, D.N. Beratan, and L-T. Cheng, "Approaches for optimizing the first electronic hyperpolarizability of conjugated organic molecules", Science, 1991, 252, 103-106.
  82. J.N. Onuchic and P.C.P. de Andrade, and D.N. Beratan, "Electron tunneling pathways in proteins: a method to compute tunneling matrix elements in very large systems", J. Chem. Phys., 1991, 95, 1131-1138 [GetPDFServlet].
  83. S.R. Marder, L-T. Cheng, B.G. Tiemann, and D.N. Beratan, "Structure/property relationships for molecular second-order nonlinear optics", Proceedings of SPIE-The Society of Photo-Optical Instrumentation Engineers, 1991, 1560, 86-97 [GetPDFServlet].
  84. J.N. Onuchic and D.N. Beratan, "A predictive theoretical model for electron tunneling pathways in proteins", J. Chem. Phys., 1990, 92, 722-733 [GetPDFServlet].
  85. D.N. Beratan, J.N. Onuchic, J.N. Betts, B. Bowler, and H.G. Gray, "Electron mediation pathways in ruthenated proteins", J. Am. Chem. Soc., 1990, 112, 7915-7921 (See commentary on this work in CHEMTRACTS- INORGANIC CHEMISTRY 3, 79 (1991) and The New Biologist, 3, 651 (1991).) [pdf].
  86. D.N. Beratan, "Controlled electron transfer for molecular electronics", Mol. Cryst. Liq. Cryst., 1990, 190, 85-94.
  87. D.N. Beratan and J.N. Onuchic, "Electron tunneling pathways in proteins: influences on the transfer rate", Photosynthesis Research, 1989, 22, 173-186.
  88. D.N. Beratan, J.N. Onuchic, and J.J. Hopfield, "Information storage at the molecular level: the design of a molecular shift register memory", Journal of the British Interplanetary Society, 1989, 42, 468-473.
  89. D.N. Beratan, "Influence of gap states on the nonestonant second hyperpolizabilities of conjugated organic polymers", J. Phys. Chem., 1989, 93, 3915-3920 [pdf].
  90. J.J. Hopfield, J.N. Onuchic, and D.N. Beratan, "Electronic shift register memory based on molecular electron transfer reactions", J. Phys. Chem., 1989, 93, 6350-6357 [pdf].
  91. D.N. Beratan, M.A. Lee, D.W. Allender, and S. Risser, "Structural dependence of the pi-electron contributions to the optical second huperpolizability of linear conjugated organic molecules", Proceedings of SPIE-The Society of Photo-Optical Instrumentation Engineers, 1989, 1080, 101-107.
  92. J.A. Cowan, R.K. Upmacis, D.N. Beratan, J.N. Onuchic, and H.B. Gray, "Long-range electron transfer inmyoglobin", Annals of the New York Academy of Sciences, 1988, 550, 68-84.
  93. J.J. Hopfield, J.N. Onuchic, D.N. Beratan, "A molecular shift register based on electron transfer", Science, 1988, 241, 817-820.
  94. D.N. Beratan and J.N. Onuchic, "Adiabaticity and noadiabaticity in biomolecular outer-sphere charge transfer reactions", J. Chem. Phys., 1988, 89, 6195-6203 [GetPDFServlet].
  95. J.N. Onuchic and D.N. Beratan, "Adiabaticity criteria for outer-sphere biomolecular electron transfer reactions", J. Phys. Chem., 1988, 92, 4817-4820 [pdf].
  96. J.W. Perry, A.E. Stiegman, S.R. Marder, D.R. Coulter, D.N. Beratan, D.E. Brinza, F.L. Klavetter, R.H. Grubbs, "Second and third order nonlinear optical properties of conjugated molecules and polymers", Proceedings of SPIE-The Society of Photo-Optical Instrumentation Engineers, 1988, 971, 17-24.
  97. J.N. Onuchic and D.N. Beratan, "Molecular bridge effects on distant charge tunneling", J. Am. Chem. Soc., 1987, 109, 6771-6778 [pdf].
  98. D.N. Beratan, J.N. Onuchic, and J.W. Perry, "Non-linear susceptibilities of finite organic polymers", J. Phys. Chem., 1987, 91, 2696-2698 [pdf].
  99. D.N. Beratan, J.N. Onuchic and J.J. Hopfield, "Electron tunneling through covalent and non-covalent pathways in proteins", J. Chem. Phys., 1987, 86, 4488-4498 [GetPDFServlet].
  100. J.N. Onuchic, D.N. Beratan, and J.J. Hopfield, "Some aspects of electron transfer reaction dynamics", J. Phys. Chem., 1986, 90, 3707-3721 [pdf].
  101. D.N. Beratan, "Electron tunneling through rigid molecular bridges: Bicyclo[2.2.2] octane", J. Am. Chem. Soc., 1986, 108, 4321-4326 [pdf].
  102. D.N. Beratan, J.N. Onuchic and J.J. Hopfield, "Limiting forms of the tunneling matrix element in the long distance mediated electron transfer problem", J. Chem. Phys., 1985, 83, 5325-5329 [GetPDFServlet].
  103. D.N. Beratan and J.J. Hopfield, "Failure of the Born-Oppenheimer and Franck-Condon approximations for long distance electron transfer electron rate calculations", J. Chem. Phys., 1984, 81, 5753-5759 [GetPDFServlet].
  104. D.N. Beratan and J.J. Hopfield, "Calculation of electron tunneling matrix elements in rigid systems: The mixed valence dithiaspirocyclobutane molecules", J. Am. Chem. Soc., 1984, 106, 1584-1894 [pdf].
  105. W.L. Luken and D.N. Beratan, "Localized orbitals and the Fermi hole", Theor. Chim. Acta, 1982, 61, 265-281.

Chapter in Book

  1. S.S. Skourtis, J. Lin and D.N. Beratan, "The Effects of Bridge Motion on Electron Transfer Reactions Mediated by Tunneling", in Modern Methods for Theoretical Physical Chemistry of Biopolymers, edited by E.B. Starikov, J.P. Lewis and S. Tanaka , 2006, Elsevier.
  2. J.R. Winkler, H.B. Gray, T.R. Prytkova, I.V. Kurnikov and D.N. Beratan, "Electron transfer through proteins", in Bioelectronics, edited by I. Willner and E. Katz , 2005, 15-33, Wiley-VCH.
  3. S.S. Skourtis, J. Lin and D.N. Beratan, "The effects of bridge motion on electron transfer reactions mediated by tunneling", in Modern Methods for Theoretical Physical Chemistry of Biopolymers, edited by E.B. Starikov, S. Tanaka and J.P. Lewis , 2005.
  4. D.N. Beratan, "Molecular control of electron transfer events within and between biomolecules", in Molecular electronics: biosensors and biocomputers, edited by L. Barsanti, V. Evangelista, P. Gualtieri, V. Passarelli, and S. Vestri , 2003, 227-236, Kluwer Academic Publishers.
  5. D.N. Beratan, R.K. Kondru, and P. Wipf, "Optical activity: from structure function to structure prediction", ACS Symposium Series #810, Chirality: Physical Chemistry, 2002, 104-118 (J. Hicks, editor.).
  6. G.C. Walker and D.N. Beratan, "Electron Transfer Reactions", in "Electron Transfer Reactions", edited by J. Moore and N. Spencer , 2001, Institute of Physics Press.
  7. S.S. Skourtis and D.N. Beratan, "Multi-center and multi-electron transfer in biology", in Theory & Principles, Electron Transfer Reaction, edited by Wiley-VCH (Weinheim), V. Balzani , Electron Transfer Reaction, 2001, 1, 109-125.
  8. D.N. Beratanand S.S. Skourtis, "Protein-mediated electron transfer: pathways, orbital interactions and contact maps", in Biological electron-transfer chains: genetics, composition and mode of operation, edited by G.W. Canters and E. Vigenboom , 1998, 9-27, Kluwer Academic Publishers, Dordrecht, The Netherlands.
  9. J. N. Onuchic, S.M. Risser, S.S. Skourtis, D.N. Beratan, "The design of starburst dendrimer electron transfer systems", in Molecular Electronics, edited by M. Ratner and J. Jortner , 1997, 369-379, Chemistry for the 21st Century Series, Blackwell Science, Oxford, Chapter 12.
  10. D.N. Beratan, "Molecular control of electron tunneling processes", 1997, Chapter 3.2 in IBC Molecular Nanotechology Conference Proceedings, IBC Press.
  11. D.N. Beratan and J.N. Onuchic, "Chapter 2: The protein bridge between redox centers", in Protein Electron Transfer, edited by D.S. Bendall , 1996, 23-42, BIOS Scientific Publishers, Oxford.
  12. J.N. Onuchic and D.N. Beratan, "Appendix A: Electron transfer rate calculations", in Protein Electron Transfer, edited by D.S. Bendall , 1996, 273-283, bios Scientific Publishers, Oxford.
  13. D.R. Casimiro, D.N. Beratan, J.N. Onuchic, J.R. Winkler, and H.B. Gray, "Donor-acceptor electronic coupling in ruthenium-modified heme proteins", in Mechanistic Bioinorganic Chemistry, ACS Symp. Series, edited by J. Thorp and V. Pecoraro , 1995, 471-485, Washington, D.C..
  14. J.J. Regan, D.N. Beratan, and J.N. Onuchic, "Finding electron transfer pathways", in Princeton Lectures on Biophysics, edited by W. Bialek , 1992, 175-195, World Scientific Publishing Co..
  15. D.N. Beratan and J.N. Onuchic, "Structural control of electron transfer in proteins", in The molecular basis of oxidative damage by leukocytes, edited by A.J. Jesaitis and E.A. Dratz , 1992, 57-67, CRC Press, Boca Raton.
  16. D.N. Beratan, "Molecular electronic device concepts", in 1992 Encyclopedia of Physical Science and Technology, 1992, 10, 411-417, Academic Press.
  17. S.R. Marder, B.G. Tiemann, D.N. Beratan, L-T. Cheng, and W. Tam, "Structure property relationships for organic and oranometallic materials with second-order nonlinearities", in Organic Materials for Nonlinear Optics, II, edited by R.A. hann and D. Bloor , 1991, 165-175, Royal Society of Chemistry, Cambridge.
  18. D.N. Beratan, "Electronic hyperpolizability and chemical structure: a tutorial", in New Materials for Nonlinear Optics, ACS Symposium Series, edited by S.R. Marder, J.E. Sohn, and G.D. Stucky , 1991, 455, 89-102.
  19. D.N. Beratan, J.N. Onuchic, and H.B. Gray, "Electron tunneling pathways in proteins", in Metal Ions in Biological Systems, edited by H. Sigel and A. Sigel , 1991, 27, 97-127, Marcel Dekker Press, New York.
  20. D.N. Beratan and J.N. Onuchic, "Electron tunneling pathways: from model compounds to proteins", in ACS Advance in Chemistry Series volume 228, Electron transfer in organic, and biological systems, edited by J.R. Bolton, N. Mataga, G. McLendon , 1991, 71-90.
  21. D.N. Beratan, "Molecular electronic device concepts", in 1991 Encyclopedia of Physical Science and Technology Yearbook, 1991, 359-364, Academic Press.
  22. D.N. Beratan, J.N. Onuchic, and J.J. Hopefield, "Design of a molecular memory device: the electron transfer shift register memory", in Towards the Biochip, edited by C. Nicolini , 1990, 107-118, World Publishing Company, New Jersey.
  23. D.N. Beratan, J.N Onuchic and J.J. Hopfield, "Design of a true molecular electronic device:the electron transfer shift register memory", in Molecular Electronics - Biosensors and Diocomputers, edited by F.T. Hong , 1989, 353-360, Plenum Press.
  24. D.N. Beratan, J.N. Onuchic and J.J. Hopfield, "Design of a molecular memory device based on electron transfer reactions", in Molecular Electronics: Science and Technology, 1989, 331-357, Engineering Foundation, New York.
  25. D.N. Beratan, J.N. Onuchic and J.J. Hopfield, "Through bond and through space limits of the long distance electron transfer problem", in Protein Structure, Molecular and Electronic Reactivity, edited by R. Austin, et al. , 1987, 488.

Other

  1. D.N. Beratan and W.L. Luken, "Electron Correlation and the Chemical Bond", 1980, Freewater Film Productions, Durham, NC.