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Publications

2013


 

 

  • Structural Optimization of Zn(II)-Activated Magnetic Resonance Imaging Probes. L. M. Matosziuk, J. H. Leibowitz, M. C. Heffern, K. W. Macrenaris, M. A. Ratner and T. J. Meade, Inorganic chemistry, 2013. 52(21), 12250-61.



  • Spin Transport of Polyacetylene Chains Bridging Zigzag Graphene Nanoribbon Electrodes: A Nonequilibrium Treatment of Structural Control and Spin Filtering. A. Saraiva-Souza, M. Smeu, H. Terrones, A. G. Souza Filho and M. A. Ratner, Journal of Physical Chemistry C, 2013. 117(41), 21178-21185.

 

 

  • Impact of a single base pair substitution on the charge transfer rate along short DNA hairpins. N. Renaud, Y. A. Berlin and M. A. Ratner, Proceedings of the National Academy of Sciences of the United States of America, 2013. 110 (37), 14867-14871.

 

 

  • Nature of Noncovalent Interactions in Catenane Supramolecular Complexes: Calibrating the MM3 Force Field with ab Initio, DFT, and SAPT Methods. T. M. Simeon, M. A. Ramer and G. C. Schatz, Journal of Physical Chemistry A, 2013. 117(33), 7918-7927.

 

 

  • Chemistry at molecular junctions: Rotation and dissociation of O-2 on the Ag(110) surface induced by a scanning tunneling microscope. S. Roy, V. Mujica and M. A. Ratner, Journal of Chemical Physics, 2013. 139(7).

 

 

  • Substantial Recoverable Energy Storage in Percolative Metallic Aluminum-Polypropylene Nanocomposites. L. A. Fredin, Z. Li, M. T. Lanagan, M. A. Ratner and T. J. Marks, Advanced Functional Materials, 2013. 23(28), 3560-3569

 

 

  • Quantum interferences and electron transfer in photosystem I. N. Renaud, D. Powell, M. Zarea, B. Movaghar, M. R. Wasielewski and M. A. Ratner, The journal of physical chemistry. A, 2013. 117(29), 5899-908.

 

 

  • Effect of Anchoring Groups on Single Molecule Charge Transport through Porphyrins. Z. Li, M. Smeu, M. A. Ratner and E. Borguet, Journal of Physical Chemistry C, 2013. 117(29), 14890-14898.

 

 

  • Controlling conformations of conjugated polymers and small molecules: the role of nonbonding interactions. N. E. Jackson, B. M. Savoie, K. L. Kohlstedt, M. Olvera de la Cruz, G. C. Schatz, L. X. Chen and M. A. Ratner, Journal of the American Chemical Society, 2013. 135(28), 10475-83.

 

 

  • Communication: Active-space decomposition for molecular dimers. S. M. Parker, T. Seideman, M. A. Ratner and T. Shiozaki, The Journal of chemical physics, 2013. 139(2), 021108-021108.

 

 

  • First-principles calculation of dielectric response in molecule-based materials. H. M. Heitzer, T. J. Marks and M. A. Ratner, Journal of the American Chemical Society, 2013. 135(26), 9753-9.

 

 

  • A brief history of molecular electronics. M. Ratner, Nature nanotechnology, 2013. 8(6), 378-81.

 

 

  • Electron Spin Polarization Transfer from Photogenerated Spin-Correlated Radical Pairs to a Stable Radical Observer Spin. M. T. Colvin, R. Carmieli, T. Miura, S. Richert, D. M. Gardner, A. L. Smeigh, S. M. Dyar, S. M. Conron, M. A. Ratner and M. R. Wasielewski, Journal of Physical Chemistry A, 2013. 117(25), 5314-5325.

 

 

  • Photoinitiated multi-step charge separation and ultrafast charge transfer induced dissociation in a pyridyl-linked photosensitizer-cobaloxime assembly. B. S. Veldkamp, W.-S. Han, S. M. Dyar, S. W. Eaton, M. A. Ratner and M. R. Wasielewski, Energy & Environmental Science, 2013. 6(6), 1917-1928.

 

 

  • Toward Designed Singlet Fission: Solution Photophysics of Two Indirectly Coupled Covalent Dimers of 1,3-Diphenylisobenzofuran. J. C. Johnson, A. Akdag, M. Zamadar, X. Chen, A. F. Schwerin, I. Paci, M. B. Smith, Z. Havlas, J. R. Miller, M. A. Ratner, A. J. Nozik and J. Michl, Journal of Physical Chemistry B, 2013. 117(16), 4680-4695.

 

 

  • Reassessing the use of one-electron energetics in the design and characterization of organic photovoltaics. B. M. Savoie, N. E. Jackson, T. J. Marks and M. A. Ratner, Physical Chemistry Chemical Physics, 2013. 15(13), 4538-4547.

 

 

  • Mapping the Relation between Stacking Geometries and Singlet Fission Yield in a Class of Organic Crystals. N. Renaud, P. A. Sherratt and M. A. Ratner, Journal of Physical Chemistry Letters, 2013. 4(7), 1065-1069.

 

 

  • Calculating scattering cross sections in the near field: Analytic proof and numerical verification. Z. Hu, M. A. Ratner and T. Seideman, Chemical Physics, 2013. 415, 14-17.

 

 

  • Rational design of Co(acacen)L-2 (+) inhibitors of protein function. L. M. Matosziuk, R. J. Holbrook, L. M. Manus, M. C. Heffern, M. A. Ratner and T. J. Meade, Dalton Transactions, 2013. 42(11), 4002-4012.

 

 

  • Between Superexchange and Hopping: An Intermediate Charge-Transfer Mechanism in Poly(A)-Poly(T) DNA Hairpins. N. Renaud, Y. A. Berlin, F. D. Lewis and M. A. Ratner, Journal of the American Chemical Society, 2013. 135(10), 3953-3963.

 

 

  • Simple Analytic Description of Collection Efficiency in Organic Photovoltaics. B. M. Savoie, B. Movaghar, T. J. Marks and M. A. Ratner, Journal of Physical Chemistry Letters, 2013. 4(5), 704-709.

 

 

  • Dynamic electron localization initiated by particle-bath coupling. G. Li, B. Movaghar and M. A. Ratner, Physical Review B, 2013. 87(9).

 

 

  • The role of dimensionality in the decay of surface effects. M. G. Reuter, N. M. Boffi, M. A. Ratner and T. Seideman, Journal of Chemical Physics, 2013. 138(8).

 

 

  • Effects of Electronic and Nuclear Interactions on the Excited-State Properties and Structural Dynamics of Copper(I) Diimine Complexes. M. W. Mara, N. E. Jackson, J. Huang, A. B. Stickrath, X. Zhang, N. A. Gothard, M. A. Ratner and L. X. Chen, Journal of Physical Chemistry B, 2013. 117(6), 1921-1931.

 

 

  • Decoherence and Quantum Interference in a Four-Site Model System: Mechanisms and Turnovers. M. Zarea, D. Powell, N. Renaud, M. R. Wasielewski and M. A. Ratner, Journal of Physical Chemistry B, 2013. 117(4), 1010-1020.

 

 

  • Polaron formation: Ehrenfest dynamics vs. exact results. G. Li, B. Movaghar, A. Nitzan and M. A. Ratner, Journal of Chemical Physics, 2013. 138(4).

 

 

  • Multiple-Time-Scale Motion in Molecularly Linked Nanoparticle Arrays. C. George, I. Szleifer and M. Ratner, Acs Nano, 2013. 7(1), 108-116.

 

 

  • Sustainable High Capacitance at High Frequencies: Metallic Aluminum - Polypropylene Nanocomposites. L. A. Fredin, Z. Li, M. T. Lanagan, M. A. Ratner and T. J. Marks, Acs Nano, 2013. 7(1), 396-407.

 

 

  • Electron-Phonon Coupling Effect on Charge Transfer in Nanostructures. G. Li, B. Movaghar and M. A. Ratner, Journal of Physical Chemistry C, 2013. 117(2), 850-857.

 

 

  • Mechanical Bond-Induced Radical Stabilization. H. Li, Z. Zhu, A. C. Fahrenbach, B. M. Savoie, C. Ke, J. C. Barnes, J. Lei, Y.-L. Zhao, L. M. Lilley, T. J. Marks, M. A. Ratner and J. F. Stoddart, Journal of the American Chemical Society, 2013. 135(1), 456-467.

 

 

  • Microphase separation as the cause of structural complexity in 2D liquids. A. Z. Patashinski, R. Orlik, A. C. Mitus, M. A. Ratner and B. A. Grzybowski, Soft Matter, 2013. 9(42), 10042-10047.


  • Classical Electrodynamics Coupled to Quantum Mechanics for Calculation of Molecular Optical Properties: An RT-TDDFT/FDTD Approach. H. Chen, J. M. McMahon, M. A. Ratner and G. C. Schatz. Advances in Fdtd Computational Electrodynamics: Photonics and Nanotechnology, ed. A. Taflove, A. Oskooi and S. G. Johnson 2013. 209-231.

 

 

  • pi-Dimerization of viologen subunits around the core of C-60 from twelve to six directions. J. Iehl, M. Frasconi, H.-P. J. de Rouville, N. Renaud, S. M. Dyar, N. L. Strutt, R. Carmieli, M. R. Wasielewski, M. A. Ratner, J.-F. Nierengarten and J. F. Stoddart, Chemical Science, 2013. 4(4), 1462-1469.



2012

 

  • Modeling geminate pair dissociation in organic solar cells: high power conversion efficiencies achieved with moderate optical bandgaps. J. D. Servaites, B. M. Savoie, J. B. Brink, T. J. Marks and M. A. Ratner, Energy & Environmental Science, 2012. 5(8), 8343-8350.


  • Ascertaining the Limitations of Low Mobility on Organic Solar Cell Performance. B. M. Savoie, S. Tan, J. W. Jerome, C. W. Shu, M. A. Ratner, T. J. Marks and Ieee. 2012 15th International Workshop on Computational Electronics2012, New York, Ieee.


  • Catalysis by a Zinc-Porphyrin-Based Metal-Organic Framework: From Theory to Computational Design. S. Roy, C. B. George and M. A. Ratner, Journal of Physical Chemistry C, 2012. 116(44), 23494-23502.


  • Laser alignment as a route to ultrafast control of electron transport through junctions. M. G. Reuter, M. A. Ratner and T. Seideman, Physical Review A, 2012. 86(1).

 

 

  • Heterogeneous Structure, Heterogeneous Dynamics, and Complex Behavior in Two-Dimensional Liquids. A. Z. Patashinski, M. A. Ratner, B. A. Grzybowski, R. Orlik and A. C. Mitus, Journal of Physical Chemistry Letters, 2012. 3(17), 2431-2435.


  • Simulating strong field control of axial chirality using optimal control theory. S. M. Parker, M. A. Ratner and T. Seideman, Molecular Physics, 2012. 110(15-16), 1941-1952.


  • Probing Charge States in Molecular Junctions Using Raman Spectroscopy. F. Mirjani, J. M. Thijssen and M. A. Ratner, Journal of Physical Chemistry C, 2012. 116(43), 23120-23129.


  • Chiral molecular films as electron polarizers and polarization modulators. E. Medina, F. Lopez, M. A. Ratner and V. Mujica, Epl, 2012. 99(1).


  • Yield of exciton dissociation in a donor-acceptor photovoltaic junction. G. Q. Li, A. Nitzan and M. A. Ratner, Physical Chemistry Chemical Physics, 2012. 14(41), 14270-14276.


  • Modeling plasmonics: A Huygens subgridding scheme for Lorentz media. Z. Hu, M. A. Ratner and T. Seideman, The Journal of chemical physics, 2012. 137(20), 204111.


  • Bithiopheneimide-Dithienosilole/Dithienogermole Copolymers for Efficient Solar Cells: Information from Structure-Property-Device Performance Correlations and Comparison to Thieno 3,4-c pyrrole-4,6-dione Analogues. X. G. Guo, N. J. Zhou, S. J. Lou, J. W. Hennek, R. P. Ortiz, M. R. Butler, P. L. T. Boudreault, J. Strzalka, P. O. Morin, M. Leclerc, J. T. L. Navarrete, M. A. Ratner, L. X. Chen, R. P. H. Chang, A. Facchetti and T. J. Marks, Journal of the American Chemical Society, 2012. 134(44), 18427-18439.


  • Enhanced Energy Storage and Suppressed Dielectric Loss in Oxide Core-Shell-Polyolefin Nanocomposites by Moderating Internal Surface Area and Increasing Shell Thickness. L. A. Fredin, Z. Li, M. A. Ratner, M. T. Lanagan and T. J. Marks, Advanced Materials, 2012. 24(44), 5946.


  • Experimental and theoretical studies of plasmon-molecule interactions. H. N. Chen, G. C. Schatz and M. A. Ratner, Reports on Progress in Physics, 2012. 75(9).


  • DNA Base Pair Stacks with High Electric Conductance: A Systematic Structural Search. Y. A. Berlin, A. A. Voityuk and M. A. Ratner, Acs Nano, 2012. 6(9), 8216-8225.


  • Molecular electronic junction transport: some pathways and some ideas, Solomon, G. C.; Herrmann, C.; Ratner, M. A., Topics in current chemistry 2012, 313, 1-38.

 

 

  • Signatures of Cooperative Effects and Transport Mechanisms in Conductance Histograms, Reuter, M. G.; Hersam, M. C.; Seideman, T.; Ratner, M. A., Nano Letters 2012, 12, 2243-2248.

 

 

  • Defects in DNA: Lessons from Molecular Motor Design, McCullagh, M.; Franco, I.; Ratner, M. A.; Schatz, G. C., Journal of Physical Chemistry Letters 2012, 3, 689-693.

 

 

  • Compensation of Coulomb Blocking and Energy Transfer in the Current Voltage Characteristic of Molecular Conduction Junctions, Li, G.; Shishodia, M. S.; Fainberg, B. D.; Apter, B.; Oren, M.; Nitzan, A.; Ratner, M. A., Nano Letters 2012, 12, 2228-2232.

 

 

  • Finite-difference time-domain simulation of light induced charge dynamics in silver nanoparticles, Hu, Z.; Ratner, M. A.; Seideman, T., Journal of Chemical Physics 2012, 136, 054504-054504.

 

 

 

 



2011

 

 

 

 

 

 

 



2010

2009
2008
2007
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