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Items: 1 to 50 of 303

1.

Molecular Junctions Inspired by Nature: Electrical Conduction through Noncovalent Nanobelts.

Jones LO, Mosquera MA, Schatz GC, Ratner MA.

J Phys Chem B. 2019 Sep 17. doi: 10.1021/acs.jpcb.9b06255. [Epub ahead of print]

PMID:
31525929
2.

Domain Separation in Density Functional Theory.

Mosquera MA, Jones LO, Borca CH, Ratner MA, Schatz GC.

J Phys Chem A. 2019 Jun 6;123(22):4785-4795. doi: 10.1021/acs.jpca.9b01173. Epub 2019 May 22.

PMID:
31075203
3.

Germanium Fluoride Nanocages as Optically Transparent n-Type Materials and Their Endohedral Metallofullerene Derivatives.

Jones LO, Mosquera MA, Fu B, Schatz GC, Ratner MA, Marks TJ.

J Am Chem Soc. 2019 Jan 30;141(4):1672-1684. doi: 10.1021/jacs.8b11259. Epub 2019 Jan 16.

PMID:
30608154
4.

Photoinduced Plasmon-Driven Chemistry in trans-1,2-Bis(4-pyridyl)ethylene Gold Nanosphere Oligomers.

Sprague-Klein EA, Negru B, Madison LR, Coste SC, Rugg BK, Felts AM, McAnally MO, Banik M, Apkarian VA, Wasielewski MR, Ratner MA, Seideman T, Schatz GC, Van Duyne RP.

J Am Chem Soc. 2018 Aug 22;140(33):10583-10592. doi: 10.1021/jacs.8b06347. Epub 2018 Aug 14.

PMID:
30071734
5.

Locally coupled open subsystems: A formalism for affordable electronic structure calculations featuring fractional charges and size consistency.

Mosquera MA, Ratner MA, Schatz GC.

J Chem Phys. 2018 Jul 21;149(3):034105. doi: 10.1063/1.5038557.

PMID:
30037242
6.

Benchmarking Semiempirical Methods To Compute Electrochemical Formal Potentials.

Gieseking RLM, Ratner MA, Schatz GC.

J Phys Chem A. 2018 Aug 23;122(33):6809-6818. doi: 10.1021/acs.jpca.8b05143. Epub 2018 Aug 11.

PMID:
30024746
7.

Photoinduced Anomalous Coulomb Blockade and the Role of Triplet States in Electron Transport through an Irradiated Molecular Transistor.

Fu B, Mosquera MA, Schatz GC, Ratner MA, Hsu LY.

Nano Lett. 2018 Aug 8;18(8):5015-5023. doi: 10.1021/acs.nanolett.8b01838. Epub 2018 Jul 19.

PMID:
29995424
8.

Designing Principles of Molecular Quantum Interference Effect Transistors.

Chen S, Chen G, Ratner MA.

J Phys Chem Lett. 2018 Jun 7;9(11):2843-2847. doi: 10.1021/acs.jpclett.8b01185. Epub 2018 May 16.

PMID:
29750871
9.

Detecting and Visualizing Reaction Intermediates of Anisotropic Nanoparticle Growth.

Chandra K, Rugg BK, Ratner MA, Wasielewski MR, Odom TW.

J Am Chem Soc. 2018 Mar 7;140(9):3219-3222. doi: 10.1021/jacs.8b00124. Epub 2018 Feb 26.

PMID:
29466665
10.

Measuring Dipole Inversion in Self-Assembled Nano-Dielectric Molecular Layers.

Zeng L, Turrisi R, Fu B, Emery JD, Walker AR, Ratner MA, Hersam MC, Facchetti AF, Marks TJ, Bedzyk MJ.

ACS Appl Mater Interfaces. 2018 Feb 21;10(7):6484-6490. doi: 10.1021/acsami.7b16160. Epub 2018 Feb 12.

PMID:
29378110
11.

Probing Intermolecular Vibrational Symmetry Breaking in Self-Assembled Monolayers with Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy.

Chiang N, Jiang N, Madison LR, Pozzi EA, Wasielewski MR, Ratner MA, Hersam MC, Seideman T, Schatz GC, Van Duyne RP.

J Am Chem Soc. 2017 Dec 27;139(51):18664-18669. doi: 10.1021/jacs.7b10645. Epub 2017 Dec 12.

PMID:
29198112
12.

Hydrogenation of CO to Methanol on Ni(110) through Subsurface Hydrogen.

Ashwell AP, Lin W, Hofman MS, Yang Y, Ratner MA, Koel BE, Schatz GC.

J Am Chem Soc. 2017 Dec 6;139(48):17582-17589. doi: 10.1021/jacs.7b09914. Epub 2017 Nov 21.

PMID:
29119795
13.

Spin-Selective Photoreduction of a Stable Radical within a Covalent Donor-Acceptor-Radical Triad.

Rugg BK, Phelan BT, Horwitz NE, Young RM, Krzyaniak MD, Ratner MA, Wasielewski MR.

J Am Chem Soc. 2017 Nov 8;139(44):15660-15663. doi: 10.1021/jacs.7b10458. Epub 2017 Oct 31.

PMID:
29072446
14.

Can Molecular Quantum Interference Effect Transistors Survive Vibration?

Chen S, Zhou W, Zhang Q, Kwok Y, Chen G, Ratner MA.

J Phys Chem Lett. 2017 Oct 19;8(20):5166-5170. doi: 10.1021/acs.jpclett.7b02214. Epub 2017 Oct 9.

PMID:
28974091
15.

Theoretical modeling of voltage effects and the chemical mechanism in surface-enhanced Raman scattering.

Gieseking RL, Ratner MA, Schatz GC.

Faraday Discuss. 2017 Dec 4;205:149-171. doi: 10.1039/c7fd00122c.

PMID:
28884770
16.

Light-responsive organic flashing electron ratchet.

Kedem O, Lau B, Ratner MA, Weiss EA.

Proc Natl Acad Sci U S A. 2017 Aug 15;114(33):8698-8703. doi: 10.1073/pnas.1705973114. Epub 2017 Jul 31.

17.

Resonant energy transfer under the influence of the evanescent field from the metal.

Poudel A, Chen X, Ratner MA.

J Chem Phys. 2017 Jun 28;146(24):244115. doi: 10.1063/1.4990573.

PMID:
28668023
18.

Redfield Treatment of Multipathway Electron Transfer in Artificial Photosynthetic Systems.

Powell DD, Wasielewski MR, Ratner MA.

J Phys Chem B. 2017 Jul 27;121(29):7190-7203. doi: 10.1021/acs.jpcb.7b02748. Epub 2017 Jul 12.

PMID:
28661144
19.

Chain Length Dependence of the Dielectric Constant and Polarizability in Conjugated Organic Thin Films.

Van Dyck C, Marks TJ, Ratner MA.

ACS Nano. 2017 Jun 27;11(6):5970-5981. doi: 10.1021/acsnano.7b01807. Epub 2017 Jun 14.

PMID:
28575578
20.

Semiempirical modeling of electrochemical charge transfer.

Gieseking RL, Ratner MA, Schatz GC.

Faraday Discuss. 2017 Jul 1;199:547-563. doi: 10.1039/c6fd00234j. Epub 2017 Apr 26.

PMID:
28443848
21.

A Study of Electrocyclic Reactions in a Molecular Junction: Mechanistic and Energetic Requirements for Switching in the Coulomb Blockade Regime.

Olsen ST, Brøndsted Nielsen M, Hansen T, Ratner MA, Mikkelsen KV.

Chemphyschem. 2017 Jun 20;18(12):1517-1525. doi: 10.1002/cphc.201700140. Epub 2017 May 5.

PMID:
28371098
22.

Using coherence to enhance function in chemical and biophysical systems.

Scholes GD, Fleming GR, Chen LX, Aspuru-Guzik A, Buchleitner A, Coker DF, Engel GS, van Grondelle R, Ishizaki A, Jonas DM, Lundeen JS, McCusker JK, Mukamel S, Ogilvie JP, Olaya-Castro A, Ratner MA, Spano FC, Whaley KB, Zhu X.

Nature. 2017 Mar 29;543(7647):647-656. doi: 10.1038/nature21425. Review.

23.

Effect of the reflectional symmetry on the coherent hole transport across DNA hairpins.

Zarea M, Berlin Y, Ratner MA.

J Chem Phys. 2017 Mar 21;146(11):114105. doi: 10.1063/1.4978571.

PMID:
28330362
24.

Exciton Absorption Spectra by Linear Response Methods: Application to Conjugated Polymers.

Mosquera MA, Jackson NE, Fauvell TJ, Kelley MS, Chen LX, Schatz GC, Ratner MA.

J Am Chem Soc. 2017 Mar 15;139(10):3728-3735. doi: 10.1021/jacs.6b12405. Epub 2017 Mar 2.

PMID:
28225612
25.

Corrigendum: Intermediate tunnelling-hopping regime in DNA charge transport.

Xiang L, Palma JL, Bruot C, Mujica V, Ratner MA, Tao N.

Nat Chem. 2017 Feb 21;9(3):295. doi: 10.1038/nchem.2731. No abstract available.

PMID:
28221355
26.

Gate-controlled conductance switching in DNA.

Xiang L, Palma JL, Li Y, Mujica V, Ratner MA, Tao N.

Nat Commun. 2017 Feb 20;8:14471. doi: 10.1038/ncomms14471.

27.

Improved Scaling of Molecular Network Calculations: The Emergence of Molecular Domains.

Gagorik AG, Savoie B, Jackson N, Agrawal A, Choudhary A, Ratner MA, Schatz GC, Kohlstedt KL.

J Phys Chem Lett. 2017 Jan 19;8(2):415-421. doi: 10.1021/acs.jpclett.6b02921. Epub 2017 Jan 5.

PMID:
28036172
28.

Implementation of INDO/SCI with COSMO Implicit Solvation and Benchmarking for Solvatochromic Shifts.

Gieseking RL, Ratner MA, Schatz GC.

J Phys Chem A. 2016 Dec 15;120(49):9878-9885. Epub 2016 Dec 6.

PMID:
27973808
29.

A n-vector model for charge transport in molecular semiconductors.

Jackson NE, Kohlstedt KL, Chen LX, Ratner MA.

J Chem Phys. 2016 Nov 28;145(20):204102.

PMID:
27908101
30.

Electronic Structure and Potential Reactivity of Silaaromatic Molecules.

Yang Y, Mosquera MA, Skinner K, Becerra AE, Shamamian V, Schatz GC, Ratner MA, Marks TJ.

J Phys Chem A. 2016 Dec 1;120(47):9476-9488. Epub 2016 Nov 17.

PMID:
27805397
31.

Quantum Mechanical Identification of Quadrupolar Plasmonic Excited States in Silver Nanorods.

Gieseking RL, Ratner MA, Schatz GC.

J Phys Chem A. 2016 Nov 23;120(46):9324-9329. Epub 2016 Nov 9.

PMID:
27787991
32.

Deep-hole transfer leads to ultrafast charge migration in DNA hairpins.

Renaud N, Harris MA, Singh AP, Berlin YA, Ratner MA, Wasielewski MR, Lewis FD, Grozema FC.

Nat Chem. 2016 Nov;8(11):1015-1021. doi: 10.1038/nchem.2590. Epub 2016 Aug 15.

PMID:
27768107
33.

Boron Subphthalocyanine Based Molecular Triad Systems for the Capture of Solar Energy.

Storm FE, Olsen ST, Hansen T, De Vico L, Jackson NE, Ratner MA, Mikkelsen KV.

J Phys Chem A. 2016 Oct 6;120(39):7694-7703. Epub 2016 Sep 27.

PMID:
27598315
34.

Computation of Dielectric Response in Molecular Solids for High Capacitance Organic Dielectrics.

Heitzer HM, Marks TJ, Ratner MA.

Acc Chem Res. 2016 Sep 20;49(9):1614-23. doi: 10.1021/acs.accounts.6b00173. Epub 2016 Aug 30.

PMID:
27576058
35.

Charge transport network dynamics in molecular aggregates.

Jackson NE, Chen LX, Ratner MA.

Proc Natl Acad Sci U S A. 2016 Aug 2;113(31):8595-600. doi: 10.1073/pnas.1601915113. Epub 2016 Jul 20.

36.

Identification of two mechanisms for current production in a biharmonic flashing electron ratchet.

Lau B, Kedem O, Ratner MA, Weiss EA.

Phys Rev E. 2016 Jun;93(6):062128. doi: 10.1103/PhysRevE.93.062128. Epub 2016 Jun 20.

PMID:
27415229
37.

Covalently bonded single-molecule junctions with stable and reversible photoswitched conductivity.

Jia C, Migliore A, Xin N, Huang S, Wang J, Yang Q, Wang S, Chen H, Wang D, Feng B, Liu Z, Zhang G, Qu DH, Tian H, Ratner MA, Xu HQ, Nitzan A, Guo X.

Science. 2016 Jun 17;352(6292):1443-5. doi: 10.1126/science.aaf6298.

38.

Semiempirical Modeling of Ag Nanoclusters: New Parameters for Optical Property Studies Enable Determination of Double Excitation Contributions to Plasmonic Excitation.

Gieseking RL, Ratner MA, Schatz GC.

J Phys Chem A. 2016 Jul 7;120(26):4542-9. doi: 10.1021/acs.jpca.6b04520. Epub 2016 Jun 23.

PMID:
27259004
39.

Sequential double excitations from linear-response time-dependent density functional theory.

Mosquera MA, Chen LX, Ratner MA, Schatz GC.

J Chem Phys. 2016 May 28;144(20):204105. doi: 10.1063/1.4950876.

PMID:
27250277
40.

Ring-fusion as a perylenediimide dimer design concept for high-performance non-fullerene organic photovoltaic acceptors.

Hartnett PE, Matte HSSR, Eastham ND, Jackson NE, Wu Y, Chen LX, Ratner MA, Chang RPH, Hersam MC, Wasielewski MR, Marks TJ.

Chem Sci. 2016 Jun 1;7(6):3543-3555. doi: 10.1039/c5sc04956c. Epub 2016 Feb 9.

41.

Bithiophenesulfonamide Building Block for π-Conjugated Donor-Acceptor Semiconductors.

Melkonyan FS, Zhao W, Drees M, Eastham ND, Leonardi MJ, Butler MR, Chen Z, Yu X, Chang RP, Ratner MA, Facchetti AF, Marks TJ.

J Am Chem Soc. 2016 Jun 8;138(22):6944-7. doi: 10.1021/jacs.6b03498. Epub 2016 May 27.

PMID:
27210233
42.

Nanoscale Chemical Imaging of a Dynamic Molecular Phase Boundary with Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy.

Jiang N, Chiang N, Madison LR, Pozzi EA, Wasielewski MR, Seideman T, Ratner MA, Hersam MC, Schatz GC, Van Duyne RP.

Nano Lett. 2016 Jun 8;16(6):3898-904. doi: 10.1021/acs.nanolett.6b01405. Epub 2016 May 19.

PMID:
27183322
43.

Enhancement of Resonant Energy Transfer Due to an Evanescent Wave from the Metal.

Poudel A, Chen X, Ratner MA.

J Phys Chem Lett. 2016 Mar 17;7(6):955-60. doi: 10.1021/acs.jpclett.6b00119. Epub 2016 Feb 29.

PMID:
26913686
44.

Connection between Hybrid Functionals and Importance of the Local Density Approximation.

Mosquera MA, Borca CH, Ratner MA, Schatz GC.

J Phys Chem A. 2016 Mar 10;120(9):1605-12. doi: 10.1021/acs.jpca.5b10864. Epub 2016 Mar 1.

PMID:
26901359
45.

Non-exponential Length Dependence of Conductance in Iodide-Terminated Oligothiophene Single-Molecule Tunneling Junctions.

Xiang L, Hines T, Palma JL, Lu X, Mujica V, Ratner MA, Zhou G, Tao N.

J Am Chem Soc. 2016 Jan 20;138(2):679-87. doi: 10.1021/jacs.5b11605. Epub 2016 Jan 4.

PMID:
26694660
46.

Influence of Coherent Tunneling and Incoherent Hopping on the Charge Transfer Mechanism in Linear Donor-Bridge-Acceptor Systems.

Li G, Govind N, Ratner MA, Cramer CJ, Gagliardi L.

J Phys Chem Lett. 2015 Dec 17;6(24):4889-97. doi: 10.1021/acs.jpclett.5b02154. Epub 2015 Nov 25.

PMID:
26554424
47.

Ultra-High-Response, Multiply Twisted Electro-optic Chromophores: Influence of π-System Elongation and Interplanar Torsion on Hyperpolarizability.

Shi Y, Frattarelli D, Watanabe N, Facchetti A, Cariati E, Righetto S, Tordin E, Zuccaccia C, Macchioni A, Wegener SL, Stern CL, Ratner MA, Marks TJ.

J Am Chem Soc. 2015 Oct 7;137(39):12521-38. doi: 10.1021/jacs.5b04636. Epub 2015 Sep 25.

PMID:
26360110
48.

Piezoresistivity in single DNA molecules.

Bruot C, Palma JL, Xiang L, Mujica V, Ratner MA, Tao N.

Nat Commun. 2015 Sep 4;6:8032. doi: 10.1038/ncomms9032.

49.

Interference and Molecular Transport-A Dynamical View: Time-Dependent Analysis of Disubstituted Benzenes.

Chen S, Zhang Y, Koo S, Tian H, Yam C, Chen G, Ratner MA.

J Phys Chem Lett. 2014 Aug 7;5(15):2748-52. doi: 10.1021/jz5007143. Epub 2014 Jul 29.

PMID:
26277974
50.

Conformationally Gated Charge Transfer in DNA Three-Way Junctions.

Zhang Y, Young RM, Thazhathveetil AK, Singh AP, Liu C, Berlin YA, Grozema FC, Lewis FD, Ratner MA, Renaud N, Siriwong K, Voityuk AA, Wasielewski MR, Beratan DN.

J Phys Chem Lett. 2015 Jul 2;6(13):2434-8. doi: 10.1021/acs.jpclett.5b00863. Epub 2015 Jun 11.

PMID:
26266714

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