Peer-reviewed publications of research supported in part or in whole under an EFRC are listed below. Publications are ordered first by year, then alphabetically by EFRC acronym, and finally alphabetically by first author. Links to the DOI and associated EFRC appear at the end of each citation. The publication list is updated periodically; the last such update was November 21, 2014.

4401.Personick, Michelle L.; Langille, Mark R.; Zhang , J; Harris, Nadine; Schatz, George C.; and Mirkin, Chad  Synthesis and Isolation of {110}-Faceted Gold Bipyramids and Rhombic Dodecahedra  Journal of the American Chemical Society, 133 (16), 6170-6123 (2011).  [DOI: 10.1021/ja201826rExternal link] [CBES]
4402.Renaud, N.; Ratner, M.; and Mujica, V.  A stochastic surrogate Hamiltonian approach of coherent and incoherent exciton transport in the Fenna-Matthews-Olson complex  J. Chem. Phys., 135 (7), 075102 (9 pages) (2011).  [DOI: 10.1063/1.3624376External link] [CBES]
4403.Renaud, N.; Ratner, M. A.; and Joachim, C.  A Time-Dependent Approach to Electronic Transmission in Model Molecular Junctions  The Journal of Physical Chemistry B, 115 (18), 5582-5592 (2011).  [DOI: 10.1021/jp111384dExternal link] [CBES]
4404.Reuter, Matthew G.; Seideman, Tamar; and Ratner, Mark A.  Guidelines for choosing molecular "alligator clip" binding motifs in electron transport devices  The Journal of Chemical Physics, 134, 154708-5 (2011).  [DOI: 10.1063/1.3581097External link] [CBES]
4405.Reuter, Matthew G.; Seideman, Tamar; and Ratner, Mark A.  Probing the surface-to-bulk transition: A closed-form constant-scaling algorithm for computing subsurface Green functions  Physical Review B, 83, 085412 (2011).  [DOI: 10.1103/PhysRevB.83.085412External link] [CBES]
4406.Schmidt, Bryan; Mahmud, Goher; Soh, Siowling; Kim, Sun; Page, Taylor; O’Halloran, Thomas; Grzybowski, Bartosz A.; and Hoffman, Brian M.  Design, Implementation, Simulation, and Visualization of a Highly Efficient RIM Microfluidic Mixer for Rapid Freeze-Quench of Biological Samples  Applied Magnetic Resonance, 40 (4), 415-425 (2011).  [DOI: 10.1007/s00723-011-0195-7External link] [CBES]
4407.Solomon, Gemma C.; Bergfield, Justin P.; Stafford, Charles A.; and Ratner, Mark A.  When "small" terms matter: Coupled interference features in the transport properties of cross-conjugated molecules  Beilstein Journal of Nanotechnology, 2, 862-871 (2011).  [DOI: 10.3762/bjnano.2.95External link] [CBES]
4408.Stoll, Ragnar S.; Friedman, Douglas C.; and Stoddart, J. Fraser  Mechanically Interlocked Mechanophores by Living-Radical Polymerization from Rotaxane Initiators  Organic Letters, 13 (10), 2706-2709 (2011).  [DOI: 10.1021/ol200801bExternal link] [CBES]
4409.Swaminathan, Sumanth; Solis, Francisco J.; and Olvera de la Cruz, Monica  Conformation and mechanical properties of closed diblock fibers  Physical Review E, 83 (6), 061912 (2011).  [DOI: 10.1103/PhysRevE.83.061912External link] [CBES]
4410.Tagliazucchi, Mario; Tice, Daniel B.; Sweeney, Christina M.; Morris-Cohen, Adam J.; and Weiss, Emily A.  Ligand-Controlled Rates of Photoinduced Electron Transfer in Hybrid CdSe Nanocrystal/Poly(viologen) Films  ACS Nano, 5 (12), 9907-9917 (2011).  [DOI: 10.1021/nn203683sExternal link] [CBES]
4411.Tagliazucchi, Mario; Rabin, Yitzhak; and Szleifer, Igal  Ion Transport and Molecular Organization Are Coupled in Polyelectrolyte-Modified Nanopores  Journal of the American Chemical Society, 133 (44), 17753-17763 (2011).  [DOI: 10.1021/ja2063605External link] [CBES]
4412.Walker, David A; Kowalczyk, Bartlomiej; Olvera de la Cruz, Monica; and Grzybowski, Bartosz A.  Electrostatics at the nanoscale  Nanoscale, 3 (4), 1316-1344 (2011).  [DOI: 10.1039/C0NR00698JExternal link] [CBES]
4413.Wang, Dawei; Nap, Rikkert J.; Lagzi, Istvan; Kowalczyk, Bartlomiej; Han, Shuangbing; Grzybowski, Bartosz A.; and Szleifer, Igal  How and Why Nanoparticle’s Curvature Regulates the Apparent pKa of the Coating Ligands  Journal of American Chemical Society, 133 (7), 2192-2197 (2011).  [DOI: 10.1021/ja108154aExternal link] [CBES]
4414.Zwanikken, Jos W.; Guo, Peijun; Mirkin, Chad A.; and Olvera de la Cruz, Monica  Local Ionic Environment around Polyvalent Nucleic Acid-Functionalized Nanoparticles  The Journal of Physical Chemistry C, 115 (33), 16368-16373 (2011).  [DOI: 10.1021/jp205583jExternal link] [CBES]
4415.Baldychev, Ivan; Javadekar, Ashay; Buttrey, Doug J; Vohs, J. M.; and Gorte, R. J.  A study of the redox properties and methanol oxidation rates for molybdenum-based mixed oxides  Appl. Catal. A, 394, 287-293 (2011).  [DOI: 10.1016/j.apcata.2011.01.016External link] [CCEI]
4416.Caratzoulas, S.; Courtney, Tim; and Vlachos, Dion G.  Hybrid Quantum Mechanics/Molecular Mechanics-Based Molecular Dynamics Simulation of Acid-Catalyzed Dehydration of Polyols in Liquid Water  J Phys. Chem. A, 115, 8816-8821 (2011).  [DOI: 10.1021/jp203436eExternal link] [CCEI]
4417.Caratzoulas, S.; and Vlachos, Dion G.  Converting fructose to 5-hydroxymethylfurfural: A quantum mechanics/molecular mechanics study of the mechanism and energetics  Carbohyd. Res., 346, 664–672 (2011).  [DOI: 10.1016/j.carres.2011.01.029External link] [CCEI]
4418.Carlson, T. R.; Cheng, Y.-T.; Jae, J.; and Huber, G. W.  Production of green aromatics and olefins by catalytic fast pyrolysis of wood sawdust  Energy Environ. Sci., 4(1), 145-161 (2011).  [DOI: 10.1039/c0ee00341gExternal link] [CCEI]
4419.Chen, Ying; Salciccioli, Michael; and Vlachos, Dion G.  An Efficient Reaction Pathway Search Method Applied to the Decomposition of Glycerol on Platinum   J. Phys. Chem C, 115(38), 18707-18720 (2011).  [DOI: 10.1021/jp205483mExternal link] [CCEI]
4420.Chen, Huiyong; Wydra, James; Zhang, Xueyi; Lee, Pyung-Soo; Wang, Zhuopeng; Fan, Wei; and Tsapatsis, Michael  Hydrothermal synthesis of zeolites with three dimensionally ordered mesoporous-imprinted (3DOm-i) structure  J. Am. Chem. Soc., 133(32), 12390-12393 (2011).  [DOI: 10.1021/ja2046815External link] [CCEI]
4421.Cheng, Yu-Ting; and Huber, George W.  Chemistry of Furan Conversion into Aromatics and Olefins over HZSM-5: A Model Biomass Conversion Reaction  ACS Catal., 1, 611-628 (2011).  [DOI: 10.1021/cs200103jExternal link] [CCEI]
4422.Choudhary, Vinit; Pinar, Ana B; Sandler, Stanley I; Vlachos, Dion G.; and Lobo, Raul F  Xylose Isomerization to Xylulose and Its Dehydration to Furfural in Aqueous Media  ACS Catal., 1, 1724-1728 (2011).  [DOI: 10.1021/cs200461tExternal link] [CCEI]
4423.Frenkel, Anatoly I; Yevick, Aaron; Cooper, Chana; and Vasic, Relja  Modeling the structure and composition of nanoparticles by extended X-Ray absorption fine-structure spectroscopy  Ann. Rev. Anal. Chem., 4(1), 23-39 (2011).  [DOI: 10.1146/annurev-anchem-061010-113906External link] [CCEI]
4424.Javadekar, Ashay; Jayakumar, A.; Gorte, R. J.; Vohs, J. M.; and Buttrey, Doug J  Characteristics of Molten Alloys as Anodes in Solid Oxide Fuel Cells  J. Electrochem. Soc., 158(12), B1472-B1478 (2011).  [DOI: 10.1149/2.006112jesExternal link] [CCEI]
4425.Jayakumar, A.; Kungas, R.; Roy, S.; Javadekar, A.; Buttrey, D. J.; Vohs, J. M.; and Gorte, R. J.  A Direct Carbon Fuel Cell with a Molten Antimony Anode  Energ. Environ. Sci., 4(10), 4133-4137 (2011).  [DOI: 10.1039/C1EE01863AExternal link] [CCEI]
4426.Jobic, H; Santander, Julian; Conner, Jr, W C; Wittaker, G; Giriat, G.; Harrison, A; Ollivier, J; and Auerbach, Scott M  Experimental Evidence of Selective Heating of Molecules Adsorbed in Nanopores under Microwave Radiation  Phys. Rev. Lett., 106(15), 157401(1-4) (2011).  [DOI: 10.1103/PhysRevLett.106.157401External link] [CCEI]
4427.Lonergan, William W; Wang, Tiefeng; Vlachos, Dion G.; and Chen, Jingguang  Effect of Oxide Support Surface Area on Hydrogenation Activity: Pt/Ni Bimetallic Catalysts Supported on Low and High Surface Area Al2O3 and ZrO2  Appl. Catal. A, 408(1-2), 87-95 (2011).  [DOI: 10.1016/j.apcata.2011.09.007External link] [CCEI]
4428.Lonergan, William W; Xing, X; Zheng, Renyang; Qi, Suitao; Huang, B; and Chen, Jingguang  Low-Temperature 1,3-Butadiene Hydrogenation over Supported Pt/3d/gamma-Al2O3 Bimetallic Catalysts  Catal. Today, 160, 61-69 (2011).  [DOI: 10.1016/j.cattod.2010.05.014External link] [CCEI]
4429.Mallon, Elizabeth E.; Babineau, Ian J; Kranz, Joshua I; Guefrachi, Yasmine; Siepmann, J Ilja; Bhan, Aditya; and Tsapatsis, Michael  Correlations for Adsorption of Oxygenates onto Zeolites from Aqueous Solutions  J Phys. Chem. B, 115 (39), 11431-11438 (2011).  [DOI: 10.1021/jp208143tExternal link] [CCEI]
4430.Marinkovic, N S; Wang, Q; Barrio, L; Ehrlich, S N; Khalid, S; Cooper, Chana; and Frenkel, Anatoly I  Combined in situ X-ray absorption and diffuse reflectance infrared spectroscopy: An attractive tool for catalytic investigations  Nucl. Instrum. Meth. A, 649(1), 204-206 (2011).  [DOI: 10.1016/j.nima.2010.11.079External link] [CCEI]
4431.Mpourmpakis, G.; Stamatakis, Michail; Herrmann, Stanley; Vlachos, Dion G.; and Andriotis, Antonis N  Predicting the adsorption behavior in bulk from metal clusters  Chem. Phys. Lett., 518, 99-103 (2011).  [DOI: 10.1016/j.cplett.2011.11.004External link] [CCEI]
4432.Mpourmpakis, G.; and Vlachos, D. G.  Computational-based catalyst design for thermochemical transformations  MRS Bull., 36(3), 211-215 (2011).  [DOI: 10.1557/mrs.2011.36External link] [CCEI]
4433.Nikolla, E; Roman-Leshkov, Yuriy; Moliner, Manuel; and Davis, Mark E.  “One-Pot” Synthesis of 5-(Hydroxymethyl)furfural from Carbohydrates using Tin-Beta Zeolite  ACS Catal., 1, 408-410 (2011).  [DOI: 10.1021/cs2000544External link] [CCEI]
4434.Qi, Suitao; Cheney, Beth A; Zheng, R.; Lonergan, William W; Yu, Weiting; and Chen, Jingguang  The effects of oxide supports on the low temperature hydrogenation activity of acetone over Pt/Ni bimetallic catalysts on SiO2, gamma-Al2O3 and TiO2  Appl. Catal. A, 393, 44-49 (2011).  [DOI: 10.1016/j.apcata.2010.11.023External link] [CCEI]
4435.Roman-Leshkov, Yuriy; and Davis, Mark E.  Activation of Carbonyl-Containing Molecules with Solid Lewis Acids in Aqueous Media  ACS Catal., 1(11), 1566-1580 (2011).  [DOI: 10.1021/cs200411dExternal link] [CCEI]
4436.Salciccioli, M.; and Vlachos, D. G.  Kinetic modeling of Pt catalyzed and computation-driven catalyst discovery for ethylene glycol decomposition  ACS Catal., 1(10), 1246-1256 (2011).  [DOI: 10.1021/cs2003593External link] [CCEI]
4437.Salciccioli, Michael; Stamatakis, Michail; Caratzoulas, S.; and Vlachos, Dion G.  A review of multiscale modeling of metal-catalyzed reactions: Mechanism development for complexity and emergent behavior  Chem. Eng. Sci., 66(19), 4319-4355 (2011).  [DOI: 10.1016/j.ces.2011.05.050External link] [CCEI]
4438.Salciccioli, Michael; Yu, Weiting; Barteau, Mark A; Chen, Jingguang; and Vlachos, Dion G.  Differentiation of O-H and C-H Bond Scission Mechanisms of Ethylene Glycol on Pt and Ni/Pt Using Theory and Isotopic Labeling Experiments  J. Am. Chem. Soc., 133(20), (2011).  [DOI: 10.1021/ja201801tExternal link] [CCEI]
4439.Varoon, Kumar; Zhang, Xueyi; Elyassi, Bahman; Brewer, Damien; Gettel, Melissa; Lee, J Alex; Maheshwari, Sundeep; Mittal, Anudha; Sung, Chun-Yi; Cococcioni, Matteo; Francis, Lorraine; McCormick, Alon; Mkhoyan, Andre; and Tsapatsis, Michael  Dispersible Exfoliated Zeolite Nanosheets and Their Application as a Selective Membrane  Science, 334(6052), 72-75 (2011).  [DOI: 10.1126/science.1208891External link] [CCEI]
4440.Xiong, Ruichang; Sandler, Stanley I; and Vlachos, Dion G.  Alcohol Adsorption onto Silicalite from Aqueous Solution  J Phys. Chem. C., 115(38), 18659-18669 (2011).  [DOI: 10.1021/jp205312kExternal link] [CCEI]
4441.Yang, Li; Sandler, Stanley I; Vlachos, Dion G.; Peng, Changjun; Liu, Honglai; and Hu, Ying  Adsorption and Diffusion of Methanol, Glycerol, and Their Mixtures in a Metal Organic Framework  Ind. Eng. Chem. Res., 50, 14084-14089 (2011).  [DOI: 10.1021/ie201807zExternal link] [CCEI]
4442.Yu, Weiting; Barteau, Mark A; and Chen, Jingguang  Glycolaldehyde as a Probe Molecule for Biomass-derivatives: Reaction of C-OH and C=O Functional Groups on Monolayer Ni Surfaces  J. Am. Chem. Soc., 133, 20528–20535 (2011).  [DOI: 10.1021/ja208786fExternal link] [CCEI]
4443.Zhang, Huiyan; Cheng, Yu-Ting; Vispute, Tushar; Xiao, R; and Huber, George W.  Catalytic conversion of biomass-derived feedstocks into olefins and aromatics with ZSM-5: the hydrogen to carbon effective ratio  Energ. Environ. Sci., 4(6), 2297-2307 (2011).  [DOI: 10.1039/C1EE01230DExternal link] [CCEI]
4444.Austin, Rachel Narehood; and Groves, John T  Alkane-oxidizing metalloenzymes in the carbon cycle  Metallomics, 3, 775-787 (2011).  [DOI: 10.1039/c1mt00048aExternal link] [CCHF]
4445.Bhalla, Gaurav; Bischof, Steven M; Ganesh, Somesh K; Liu, Xiang Y; Jones, C J; Borzenko, Andrey; Tenn, William J; Ess, Daniel H; Hashiguchi, Brian G; Lokare, Kapil S; Leung, Chin Hin; Oxgaard, Jonas; Goddard, William A; and Periana, Roy A  Mechanism of Efficient Anti-Markovnikov Olefin Hydroarylation Catalyzed by Homogeneous Ir(III) Complexes  Green Chemistry, 13, 69-81 (2011).  [DOI: 10.1039/C0GC00330AExternal link] [CCHF]
4446.Bischof, Steven M; Cheng, Mu-Jeng; Nielsen, Robert J; Gunnoe, T. Brent; Goddard, William A; and Periana, Roy A  Functionalization of Rhenium Aryl Bonds by O-Atom Transfer  Organometallics, 30, 2079-2082 (2011).  [DOI:External link] [CCHF]
4447.Brennaman, Kyle M; Song, Wenjing; Patrocinio, Antonio O T; Jurss, Jonah W.; Concepcion, Javier J; Hoertz, Paul G; Traub, Matthew C; Murakami Iha, Neyde Y; and Meyer, Thomas J  Interfacial Electron Transfer Dynamics Following Laser Flash Photolysis of [Ru(bpy)2((4,4'-PO3H2)2bpy)]2+ in TiO2 Nanoparticle Films in Aqueous Environments  ChemSusChem, 4, 216-227 (2011).  [DOI: 10.1002/cssc.201000356External link] [CCHF]
4448.Brewster, Timothy P; Blakemore, James D; Schley, Nathan D; Incarvito, Christopher D; Hazari, Nilay; Brudvig, Gary W; and Crabtree, Robert H  An Iridium(IV) Species, [Cp*Ir(NHC)Cl]+, Related to a Water-Oxidation Catalyst  Organometallics, 30, 965-973 (2011).  [DOI: 10.1021/om101016sExternal link] [CCHF]
4449.Chen, Zuofeng; Vannucci, Aaron K.; Concepcion, Javier J; Jurss, Jonah W.; and Meyer, Thomas J  Proton-Coupled Electron Transfer at Modified Electrodes by Multiple Pathways  Proc. Nat. Acad. Sci. USA, 108, E1461-E1469 (2011).  [DOI: 10.1073/pnas.1115769108External link] [CCHF]
4450.Cheng, Mu-Jeng; Nielsen, Robert J; Tahir-Kheli, Jamil; and Goddard, William A  The magnetic and electronic structure of vanadyl pyrophosphate from density functional theory  Phys. Chem. Chem. Phys., 13, 9831-9838 (2011).  [DOI: 10.1039/C0CP02777DExternal link] [CCHF]
4451.Crabtree, Robert H  Multifunctional Ligands in Transition Metal Catalysis  New J. Chem., 35, 18-23 (2011).  [DOI: 10.1039/C0NJ00776EExternal link] [CCHF]
4452.Crabtree, Robert H  An Organometallic Future in Green and Energy Chemistry?  Organometallics, 30, 17-19 (2011).  [DOI: 10.1021/om1009439External link] [CCHF]
4453.Cundari, Thomas R; and Prince, Bruce M.  DFT study of the reactivity of methane and dioxygen with d10-L2M complexes  Journal of Organometallic Chemistry, 696, 3982-3986 (2011).  [DOI: 10.1016/j.jorganchem.2011.06.015External link] [CCHF]
4454.Ellis, Corey S.; and Ess, Daniel H  Computational Study on the Mechanism and Selectivity of C–H Bond Activation and Dehydrogenative Functionalization in the Synthesis of Rhazinilam  J. Org. Chem., 76, 7180-7185 (2011).  [DOI: 10.1021/jo201234fExternal link] [CCHF]
4455.Figg, Travis M.; Cundari, Thomas R; and Gunnoe, T. Brent  Non-redox Oxy-Insertion via Organometallic Baeyer–Villiger Transformations: A Computational Hammett Study of Platinum(II) Complexes  Organometallics, 30, 3779-3785 (2011).  [DOI: 10.1021/om200258dExternal link] [CCHF]
4456.Gagliardi, Christopher J.; Binstead, Robert A; Thorp, H. Holden; and Meyer, Thomas J  Concerted Electron-Proton Transfer (EPT) in the Oxidation of Tryptophan with Hydroxide as a Base  J. Am. Chem. Soc., 133, 19594-19597 (2011).  [DOI: 10.1021/ja207379nExternal link] [CCHF]
4457.Goddard, William A; Liu, Lianchi; Mueller, Jonathan E; Pudar, Sanja; and Nielsen, Robert J  Structures, Mechanisms, and Kinetics of Ammoxidation and Selective Oxidation of Propane Over the M2 Phase of MoVNbTeO Catalysts  Top. Catal., 54, 659-668 (2011).  [DOI: 10.1007/s11244-011-9688-8External link] [CCHF]
4458.Golisz, Suzanne R; Gunnoe, T. Brent; Goddard, William A; Groves, John T; and Periana, Roy A  Chemistry in the Center for Catalytic Hydrocarbon Functionalization: An Energy Frontier Research Center  Catalysis Letters, 141, 213-221 (2011).  [DOI: 10.1007/s10562-010-0499-5External link] [CCHF]
4459.Gonzalez, Ana Z.; Benitez, Diego; Tkatchouk, Ekaterina; Goddard, William A; and Toste, F. Dean  Phosphoramidite gold(I)-catalyzed diastereo- and enantioselective synthesis of 3,4-substituted pyrrolidines  J. Am. Chem. Soc., 133, 5500-5507 (2011).  [DOI: 10.1021/ja200084aExternal link] [CCHF]
4460.Koller, Jurgen; and Bergman, Robert G.  Controlled Hydrosilylation of Carbonyls and Imines Catalyzed by a Cationic Alkyl Complex  Organometallics, 31, 2530-2533 (2011).  [DOI: 10.1021/om2008277External link] [CCHF]
4461.Liu, Xiang Y; Lokare, Kapil S; Ganesh, Somesh K; Gonzales, Jason M; Oxgaard, Jonas; Goddard, William A; and Periana, Roy A  Rhodium complexes bearing tetradentate diamine-bis(phenolate) ligands  Dalton Trans., 40, 301-304 (2011).  [DOI: 10.1039/C0DT00997KExternal link] [CCHF]
4462.Lokare, Kapil S; Nielsen, Robert J; Yousufuddin, Muhammed; Goddard, William A.; and Periana, Roy A  Iridium complexes bearing a PNP ligand, favoring facile C(sp3)-H bond cleavage  Dalton Transactions, 40, 9094-9097 (2011).  [DOI: 10.1039/c1dt10577aExternal link] [CCHF]
4463.Paul, Amit; Hull, Jonathan F; Norris, Michael R; Chen, Zuofeng; Ess, Daniel H; Concepcion, Javier J; and Meyer, Thomas J  Multiple Pathways for Benzyl Alcohol Oxidation by RuV=O3+ and RuIV=O2+  Inorg. Chem., 50, 1167-1169 (2011).  [DOI: 10.1021/ic1024923External link] [CCHF]
4464.Schmeier, Timothy J.; Dobereiner, Graham E. ; Crabtree, Robert H; and Hazari, Nilay  Secondary Coordination Sphere Interactions Facilitate the Insertion Step in an Iridium(III) CO2 Reduction Catalyst  J. Am. Chem Soc., 133, 9274-9277 (2011).  [DOI: 10.1021/ja2035514External link] [CCHF]
4465.Song, Wenjing; Glasson, Christopher R.K.; Luo, Hanlin; Hanson, Kenneth G.; Brennaman, M. Kyle; Concepcion, Javier J; and Meyer, Thomas J  Photoinduced Stepwise Oxidative Activation of a Chromophore-Catalyst Assembly on TiO2  J. Phys. Chem. Lett., 2, 1808-1813 (2011).  [DOI: 10.1021/jz200773rExternal link] [CCHF]
4466.Song, Wenjing; Chen, Zuofeng; Brennaman, M. Kyle; Concepcion, Javier J; Patrocinio, Antonio O T; Murakami Iha, Neyde Y; and Meyer, Thomas J  Making solar fuels by artificial photosynthesis  Pure and Applied Chemistry, 83, 749-768 (2011).  [DOI: 10.1351/PAC-CON-10-11-09External link] [CCHF]
4467.Song, Wenjing; Brennaman, M. Kyle; Concepcion, Javier J; Jurss, Jonah W.; Hoertz, Paul G.; Luo, Hanlin; Chen, Chuncheng; Hanson, Kenneth G.; and Meyer, Thomas J.  Interfacial Electron Transfer Dynamics for [Ru(bpy)2((4,40-PO3H2)2bpy)]2þ Sensitized TiO2 in a Dye-Sensitized Photoelectrosynthesis Cell: Factors Influencing Efficiency and Dynamics  J. Phys. Chem., 115, 7081-7091 (2011).  [DOI: 10.1021/jp200124kExternal link] [CCHF]
4468.Tenn, William J; Conley, Brian L; Bischof, Steven M; and Periana, Roy A  Synthesis, Characterization, and C-H Activation Reactions of Novel Organometallic O-donor Ligated Rh(III) Complexes  J. Organomet. Chem., 696, 551-558 (2011).  [DOI: 10.1016/j.jorganchem.2010.09.021External link] [CCHF]
4469.Tkatchouk, Ekaterina; Mankad, Neal P.; Benitez, Diego; Goddard, William A.; and Toste, F. Dean  Two Metals Are Better Than One in the Gold Catalyzed Oxidative Heteroarylation of Alkenes  J. Am. Chem. Soc, 133, 14293-14300 (2011).  [DOI: 10.1021/ja2012627External link] [CCHF]
4470.Webb, Joanna R; Bolano, Tamara; and Gunnoe, T. Brent  Catalytic Oxy-Functionalization of Methane and Other Hydrocarbons: New Fundamental Advancements and Strategies  ChemSusChem, 4, 37-49 (2011).  [DOI: 10.1002/cssc.201190000External link] [CCHF]
4471.Young, Kenneth J. H.; Mironov, Oleg A.; Nielsen, Robert J; Cheng, Mu-Jeng; Stewart, Timothy; Goddard, William A.; and Periana, Roy A  Synthesis and Characterization of the ҡ2-acac-O,O Complex OsIV(acac)2PhCl and Study of CH Activation with Benzene  Organometallics, 30, 5088-5094 (2011).  [DOI: 10.1021/om1010512External link] [CCHF]
4472.Young, Kenneth J. H.; Lokare, Kapil S; Leung, Chin Hin; Cheng, Mu-Jeng; Nielsen, Robert J; Petasis, Nicos; Goddard, William A; and Periana, Roy A  Synthesis of osmium and ruthenium complexes bearing dimethyl (S,S)-2,2′-(pyridine-2,6-diyl)-bis-(4,5-dihydrooxazol-4-carboxylate) ligand and application to catalytic H/D exchange  J. Mol. Catal. A, 339, 17-23 (2011).  [DOI: 10.1016/j.molcata.2011.01.029External link] [CCHF]
4473.Zhou, Meng; and Crabtree, Robert H  C-H Oxidation by Platinum Group Metal Oxo or Peroxo Species  Chem. Soc. Rev., 40, 1875-1884 (2011).  [DOI:External link] [CCHF]
4474.Alam, Aftab; Wilson, B. G. ; and Johnson, Duane D.  Accurate and fast numerical solution of Poisson's equation for arbitrary, space-filling Voronoi polyhedral: Near-field corrections revisited  Phys Rev B, 84, 205106 (2011).  [DOI:External link] [CDP]
4475.Alam, Aftab; Kahn, S. N.; Wilson, B. G. ; and Johnson, Duane D.  Efficient Isoparametric Integration over arbitrary, space-filling Voronoi polyhedra for electronic-structure calculations  Phys. Rev. B, 84, 045105-11 (2011).  [DOI: 10.1103/PhysRevB.84.045105External link] [CDP]
4476.Annett, J.; Gao, Yanfei; Cross, G. L. W.; and Lucas, B. N.  Mesoscale friction anisotropy revealed by slidingless tests  J. Mater. Res., 26, 2373-2378 (2011).  [DOI: 10.1557/jmr.2011.270External link] [CDP]
4477.Begau, C.; Hartmaier, A; George, Easo P; and Pharr, George M  Atomistic Processes of Dislocation Generation and Plastic Deformation During Nanoindentation  Acta Materialia, 59, 934-942 (2011).  [DOI: 10.1016/j.actamat.2010.10.016External link] [CDP]
4478.Clark, B. K. ; Morales, M. A. ; McMinis, J. ; Kim, J.; and Scuseria, G. E.  Computing the energy of a water molecule using multideterminants: A simple, efficient algorithm  J. Chem. Phys., 135, 244105 (2011).  [DOI:External link] [CDP]
4479.Eisenbach, M.; Nicholson, D. M.; Rusanu, A.; and Brown, G.  First principles calculation of finite temperature magnetism in Fe and Fe3C  J. Appl. Phys., 109, 07E138 (2011).  [DOI: 10.1063/1.3562218External link] [CDP]
4480.Gonis, A.; Zhang, X.-G.; Nicholson, D. M.; and Stocks, G. Malcolm  Antisymmetric wave functions for mixed fermion states and energy convexity  Phys. Rev. B, 84, 045121 (2011).  [DOI:External link] [CDP]
4481.Odbadrakh, K.; Rusanu, A.; Stocks, G. Malcolm; Samolyuk, G. D.; Eisenbach, M.; Wang, Yang; and Nicholson, D. M.  Calculated electronic and magnetic structure of screw dislocations in alpha iron  Journal of Applied Physics, 109, 07E159 (2011).  [DOI: 10.1063/1.3562217External link] [CDP]
4482.Ouyang, T.; Chen, Y.; Xie, Y.; Stocks, G. Malcolm; and Zhong, Jianxin  Thermal conductance modulator based on folded graphene nanoribbons  Appl. Phys. Lett., 99, 233101 (2011).  [DOI: 10.1063/1.3665184External link] [CDP]
4483.Rusanu, A.; Stocks, G. Malcolm; Wang , Y; and Faulkner, J. S.  Green's functions in full-potential multiple-scattering theory  Phys. Rev. B, 84, 035102 (2011).  [DOI: 10.1103/PhysRevB.84.035102External link] [CDP]
4484.Sudarshan, Phani; Johanns, Kurt E; Duscher, Gerd; Gali, A; George, Easo P; and Pharr, George M  Scanning transmission electron microscope observations of defects in as-grown and pre-strained Mo alloy fibers   Acta Materialia, 59, 2172-2179 (2011).  [DOI: 10.1016/j.actamat.2010.12.018External link] [CDP]
4485.Wang, Yang; Nicholson, D. M.; Stocks, G. Malcolm; Rusanu, A.; Eisenbach, M.; and Stoller, R E  A study of radiation damage effects on the magnetic structure of bulk Iron  Journal of Applied Physics, 109, 07E120 (2011).  [DOI: 10.1063/1.3553937External link] [CDP]
4486.Xu, Haixuan; Osetsky, Yury; and Stoller, R E  Simulating complex atomistic processes: On-the-fly kinetic Monte Carlo scheme with selective active volumes  Phys. Rev. B, 84, 132103 (2011).  [DOI: 10.1103/PhysRevB.84.132103External link] [CDP]
4487.Brewster, M.; Zhou, Xiang; Lim , S. K.; and Gradecak, S.  Role of Au in the growth and nanoscale optical properties of ZnO nanowires  J. Phys. Chem. Lett., 2, 586–591 (2011).  [DOI: 10.1021/jz200129xExternal link] [CE]
4488.Ceste, Maria; Sipos, Aron; Najafi, Faraz; Hu, Xiaolong; and Berggren, K. K.  Numerical method to optimize the polar-azimuthal orientation of infrared superconducting-nanowire single-photon detectors  Appl. Opt., 50, (31), 5949-5956 (2011).  [DOI: 10.1364/AO.50.005949External link] [CE]
4489.Chen, Xin; and Silbey, Robert J  Excitation Energy Transfer in a Non-Markovian Dynamical Disordered Environment: Localization, Narrowing and Transfer Efficiency  J Phys. Chem. B, 115, 5499-5509 (2011).  [DOI: 10.1021/jp111068wExternal link] [CE]
4490.Ellenbogen, Tal; and Crozier, K. B.  Exciton-polariton Emission From Organic Semiconductor Optical Waveguides  Phys Rev B, 84, 116304(R) (2011).  [DOI: 10.1103/PhysRevB.84.161304External link] [CE]
4491.Ellenbogen, Tal; Steinvurzel, Paul; and Crozier, K. B.  Strong coupling between excitons in J-aggregates and waveguide modes in thin polymer films  Appl. Phys. Lett., 98, 261103 (2011).  [DOI: 10.1063/1.3604014External link] [CE]
4492.Jadhav, P. J.; Mohanty, A.; Sussman, J.; and Baldo, Marc  Singlet Exciton Fission in Nanostructured Organic Solar Cells  Nano Lett., 11, (2011).  [DOI: 10.1021/nl104202jExternal link] [CE]
4493.Lee, Chee Kong; Kwek, Leong Chuan; and Cao, Jianshu  Stochastic resonance of quantum discord  Physical Review A, 84, 062113 (2011).  [DOI: 10.1103/PhysRevA.84.062113External link] [CE]
4494.Liu, Shuang; Muller, Peter; Takase, Michael K; and Swager, Timothy M.  "Click" Synthesis of Heteroleptic Triscyclometalated Iridium(III) Complexes: CU(I) Triazolide Intermediates as Transmetalating Reagents  Inorg. Chem., 50, 7598-7609 (2011).  [DOI: 10.1021/ic2005985External link] [CE]
4495.Lott, Geoffrey A; Perdomo-Ortiz, Alejandro; Utterback, James K; Widom, Julia R; Aspuru-Guzik, Alan; and Marcus, Andrew H  Conformation of self-assembled porphyrin dimers in liposome vesicles by phase-modulation 2D fluorescence spectroscopy  Proc. Natl. Acad. Sci. USA, 108, 16521-16526 (2011).  [DOI: 10.1073/pnas.1017308108External link] [CE]
4496.Lunt, Richard R; and Bulovic, Vladimir  Transparent, near-infrared organic photovoltaic solar cells for window and energy-scavenging applications  Appl. Phys. Lett., 98, 113305 (2011).  [DOI: 10.1063/1.3567516External link] [CE]
4497.Manfrinato, Vitor R; Cheong, Lin Lee; Duan, Huigao; Winston, Donald; Smith, Henry I; and Berggren, K. K.  Sub-5 keV electron-beamlithography in hydrogen silsesquioxane resist  Microelectron. Eng., 88 (10), 3070–3074 (2011).  [DOI: 10.1016/j.mee.2011.05.024External link] [CE]
4498.Marsili, F.; Najafi, F.; Dauler, E.; Bellei, F.; Hu, X.; Molnar, R.; and Berggren, K. K.  Single-photon detectors based on ultra-narrow superconducting nanowires  Nano Lett., article, ASAP (2011).  [DOI: 10.1021/nl2005143External link] [CE]
4499.Marsili, F.; Najafi, F.; Herder, C.; and Berggren, K. K.  Electro-thermal simulation of superconducting nanowire avalanche photodetectors  Appl. Phys. Lett., 98, 093507 (2011).  [DOI: 10.1063/1.3560458External link] [CE]
4500.Moix, Jeremy; Wu, Jianlan; Huo , Pengfei; Coker, David; and Cao, Jianshu  Efficient Energy Transfer in Light-Harvesting Systems, III: The Influence of the Eighth Bacteriochlorophyll on the Dynamics and Efficiency in FMO  J. Phys. Chem. Lett., 2 (24), 3045–3052 (2011).  [DOI: 10.1021/jz201259vExternal link] [CE]
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