Paul D. Winget, Ph.D. - Publications

2001 University of Minnesota, Twin Cities, Minneapolis, MN 
Theoretical Chemistry, Molecular Modeling, Computational Chemistry, Structure, Reactivity, and Mechanism

40 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2016 Kelly LL, Racke DA, Schulz P, Li H, Winget P, Kim H, Ndione P, Sigdel AK, Brédas JL, Berry JJ, Graham S, Monti OL. Spectroscopy and control of near-surface defects in conductive thin film ZnO. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 28: 094007. PMID 26871256 DOI: 10.1088/0953-8984/28/9/094007  0.8
2016 Hong M, Ravva MK, Winget P, Brédas JL. Effect of Substituents on the Electronic Structure and Degradation Process in Carbazole Derivatives for Blue OLED Host Materials Chemistry of Materials. 28: 5791-5798. DOI: 10.1021/acs.chemmater.6b02069  0.8
2015 Gruenewald M, Schirra LK, Winget P, Kozlik M, Ndione PF, Sigdel AK, Berry JJ, Forker R, Brédas JL, Fritz T, Monti OLA. Integer charge transfer and hybridization at an organic semiconductor/conductive oxide interface Journal of Physical Chemistry C. 119: 4865-4873. DOI: 10.1021/jp512153b  0.8
2015 Li J, Li H, Winget P, Brédas JL. Electronic Structure of the Perylene-Zinc Oxide Interface: Computational Study of Photoinduced Electron Transfer and Impact of Surface Defects Journal of Physical Chemistry C. 119: 18843-18858. DOI: 10.1021/acs.jpcc.5b03596  0.8
2015 Noh J, Osman OI, Aziz SG, Winget P, Brédas JL. Magnetite Fe3O4 (111) Surfaces: Impact of Defects on Structure, Stability, and Electronic Properties Chemistry of Materials. 27: 5856-5867. DOI: 10.1021/acs.chemmater.5b02885  0.8
2014 Winget P, Hong M, Brédas JL. Theoretical investigation of the degradation mechanisms in host and guest molecules used in OLED active layers Proceedings of Spie - the International Society For Optical Engineering. 9183. DOI: 10.1117/12.2062266  0.8
2014 Noh J, Osman OI, Aziz SG, Winget P, Brédas JL. A density functional theory investigation of the electronic structure and spin moments of magnetite Science and Technology of Advanced Materials. 15. DOI: 10.1088/1468-6996/15/4/044202  0.8
2014 Li H, Winget P, Brédas JL. Transparent conducting oxides of relevance to organic electronics: Electronic structures of their interfaces with organic layers Chemistry of Materials. 26: 631-646. DOI: 10.1021/cm402113k  0.8
2014 Winget P, Schirra LK, Cornil D, Li H, Coropceanu V, Ndione PF, Sigdel AK, Ginley DS, Berry JJ, Shim J, Kim H, Kippelen B, Brédas JL, Monti OLA. Defect-driven interfacial electronic structures at an organic/metal-oxide semiconductor heterojunction Advanced Materials. 26: 4711-4716. DOI: 10.1002/adma.201305351  0.8
2014 Schulz P, Kelly LL, Winget P, Li H, Kim H, Ndione PF, Sigdel AK, Berry JJ, Graham S, Brédas JL, Kahn A, Monti OLA. Tailoring electron-transfer barriers for zinc oxide/C 60 fullerene interfaces Advanced Functional Materials. 24: 7381-7389. DOI: 10.1002/adfm.201401794  0.8
2013 Coropceanu V, Li H, Winget P, Zhu L, Brédas JL. Electronic-structure theory of organic semiconductors: Charge-transport parameters and metal/organic interfaces Annual Review of Materials Research. 43: 63-87. DOI: 10.1146/annurev-matsci-071312-121630  0.8
2013 Li H, Winget P, Risko C, Sears JS, Brédas JL. Tuning the electronic and photophysical properties of heteroleptic iridium(iii) phosphorescent emitters through ancillary ligand substitution: A theoretical perspective Physical Chemistry Chemical Physics. 15: 6293-6302. DOI: 10.1039/c3cp50631b  0.8
2012 Zhou Y, Fuentes-Hernandez C, Shim J, Meyer J, Giordano AJ, Li H, Winget P, Papadopoulos T, Cheun H, Kim J, Fenoll M, Dindar A, Haske W, Najafabadi E, Khan TM, et al. A universal method to produce low-work function electrodes for organic electronics. Science (New York, N.Y.). 336: 327-32. PMID 22517855 DOI: 10.1126/science.1218829  0.8
2012 Li H, Winget P, Bredas JL. Surface modification of indium-tin-oxide via self-assembly of a donor-acceptor complex: a density functional theory study. Advanced Materials (Deerfield Beach, Fla.). 24: 687-93. PMID 22052626 DOI: 10.1002/adma.201103009  0.8
2012 Winget P. Comments on the Paper Entitled "Density-Functional Theory on the Oxidation Potentials and Geometry Parameters of Thioxanthen Derivatives: Theory and Experiment" by Riahi et al. (Anal. Lett, 40: 2574-2588, 2007) Analytical Letters. 45: 426-429. DOI: 10.1080/00032719.2011.644734  0.8
2012 Wood C, Li H, Winget P, Brédas JL. Binding modes of fluorinated benzylphosphonic acids on the polar ZnO surface and impact on work function Journal of Physical Chemistry C. 116: 19125-19133. DOI: 10.1021/jp3050725  0.8
2011 Winget P. Comments on the paper entitled determination of the oxidation potentials of pyrogallol and some of its derivatives: Theory and experiment by Riahi et al. [J Theoret Comput Chem 6(2):331, 2007] Journal of Theoretical and Computational Chemistry. 10: 321-324. DOI: 10.1142/S0219633611006475  0.8
2011 Winget P, Brédas JL. Ground-state electronic structure in charge-transfer complexes based on carbazole and diarylamine donors Journal of Physical Chemistry C. 115: 10823-10835. DOI: 10.1021/jp200666p  0.8
2010 Winget P. Comments on the paper entitled "theoretical and experimental report on the determination of oxidation potentials of dihydroxyanthracene and thioxanthens derivatives" by Riahi et al. [Chem. Phys. 337 (2007) 33-38] Chemical Physics. 378: 118-119. DOI: 10.1016/j.chemphys.2010.10.006  0.8
2008 Xu R, Winget P, Clark T. The cyclooligomerisation of acetylene at metal centres European Journal of Inorganic Chemistry. 2874-2883. DOI: 10.1002/ejic.200800077  0.8
2006 Colón D, Weber EJ, Anderson JL, Winget P, Suárez LA. Reduction of nitrosobenzenes and N-hydroxylanilines by Fe(II) species: elucidation of the reaction mechanism. Environmental Science & Technology. 40: 4449-54. PMID 16903284 DOI: 10.1021/es0600429  0.8
2005 Winget P, Clark T. AM1* parameters for aluminum, silicon, titanium and zirconium Journal of Molecular Modeling. 11: 439-456. PMID 16133088 DOI: 10.1007/s00894-005-0236-y  0.8
2004 Winget P, Cramer CJ, Truhlar DG. Computation of equilibrium oxidation and reduction potentials for reversible and dissociative electron-transfer reactions in solution Theoretical Chemistry Accounts. 112: 217-227. DOI: 10.1007/s00214-004-0577-0  0.8
2004 Winget P, Clark T. Enthalpies of Formation from B3LYP Calculations Journal of Computational Chemistry. 25: 725-733. DOI: 10.1002/jcc.10398  0.8
2003 Winget P, Horn AHC, Selçuki C, Martin B, Clark T. AM1* parameters for phosphorus, sulfur and chlorine Journal of Molecular Modeling (Online). 9: 408-414. PMID 12955599  0.8
2003 Winget P, Selçuki C, Horn AHC, Martin B, Clark T. Towards a "next generation" neglect of diatomic differential overlap based semiempirical molecular orbital technique Theoretical Chemistry Accounts. 110: 254-266. DOI: 10.1007/s00214-003-0454-2  0.8
2002 Arnold WA, Winget P, Cramer CJ. Reductive dechlorination of 1,1,2,2-tetrachloroethane. Environmental Science & Technology. 36: 3536-41. PMID 12214646 DOI: 10.1021/es025655+  0.8
2002 Winget P, Thompson JD, Xidos JD, Cramer CJ, Truhlar DG. Charge model 3: A class IV charge model based on hybrid density functional theory with variable exchange Journal of Physical Chemistry A. 106: 10707-10717. DOI: 10.1021/jp021917i  0.8
2002 Winget P, Thompson JD, Cramer CJ, Truhlar DG. Parametrization of a universal solvation model for molecules containing silicon Journal of Physical Chemistry A. 106: 5160-5168. DOI: 10.1021/jp020277g  0.8
2001 Cramer CJ, Kormos BL, Seierstad M, Sherer EC, Winget P. Biradical and zwitterionic cyclizations of oxy-substituted enyne-allenes. Organic Letters. 3: 1881-4. PMID 11405735 DOI: 10.1021/ol015935e  0.8
2001 Thompson JD, Winget P, Truhlar DG. MIDIX basis set for the lithium atom: Accurate geometries and atomic partial charges for lithium compounds with minimal computational cost Physchemcomm. 4: 1-6. DOI: 10.1039/b105076c  0.8
2001 Cramer CJ, Kormos BL, Winget P, Audette VM, Beebe JM, Brauer CS, Burdick WR, Cochran EW, Eklov BM, Giese TJ, Jun Y, Kesavan LSD, Kinsinger CR, Minyaev ME, Rajamani R, et al. A cooperative molecular modeling exercise - The hypersurface as classroom Journal of Chemical Education. 78: 1202-1205.  0.8
2000 Winget P, Weber EJ, Cramer CJ, Truhlar DG. Computational electrochemistry: Aqueous one-electron oxidation potentials for substituted anilines Physical Chemistry Chemical Physics. 2: 1231-1239. DOI: 10.1039/a909076b  0.8
2000 Vondrak T, Wang H, Winget P, Cramer CJ, Zhu XY. Interfacial electronic structure in thiolate self-assembled monolayers: Implication for molecular electronics Journal of the American Chemical Society. 122: 4700-4707. DOI: 10.1021/ja993486w  0.8
2000 Winget P, Cramer CJ, Truhlar DG. Prediction of soil sorption coefficients using a universal solvation model Environmental Science and Technology. 34: 4733-4740. DOI: 10.1021/es0009065  0.8
2000 Winget PD, Weber EJ, Cramer CJ, Truhlar DG. Computational electrochemistry: A study of redox potentials in aqueous solution Acs Division of Environmental Chemistry, Preprints. 40: 314-317.  0.8
2000 Winget P, Hawkins GD, Cramer CJ, Truhlar DG. Prediction of Vapor Pressures from Self-Solvation Free Energies Calculated by the SM5 Series of Universal Solvation Models Journal of Physical Chemistry B. 104: 4726-4734.  0.8
2000 Dolney DM, Hawkins GD, Winget P, Liotard DA, Cramer CJ, Truhlar DG. Universal Solvation Model Based on Conductor-Like Screening Model Journal of Computational Chemistry. 21: 340-366.  0.8
1999 Truhlar DG, Chuang YY, Coitiño EL, Corchado JC, Cramer CJ, Dolney D, Espinosa-Garcia J, Fast PL, Hawkins GD, Kim Y, Li J, Lynch B, Radhakrishnan ML, Roberto-Neto O, Rodgers JM, ... ... Winget P, et al. Thermochemistry, solvation, and dynamics Acs Division of Fuel Chemistry, Preprints. 44: 452-458.  0.8
1999 Li J, Zhu T, Hawkins GD, Winget P, Liotard DA, Cramer CJ, Truhlar DG. Extension of the platform of applicability of the SM5.42R universal solvation model Theoretical Chemistry Accounts. 103: 9-63.  0.8
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