Publications
This list provides a broad range of scientific publications of note in the chemical and materials sciences field, as selected by Bruce Garrett, Chemical & Materials Division Director. Many of the links on this page are provided through paid subscription services, so you many not be able to access these articles. Please contact your institution's library for assistance in obtaining these documents.
2006 | 2005 | 2004
A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W | X | Y | Z
2005
A
Addleman, RS, OB Egorov, MJ O'Hara, BJ Busche, TS Zemanian, and GE Fryxell. 2005. "Preconcentration and Assay of Radionuclides with Self Assembled Monolayers on Mesoporous Supports," Journal of Radioanalytical and Nuclear Chemistry 263:59-64.
Addleman, RS, MJ O'Hara, JW Grate, and OB Egorov. 2005. "Chemically Enhanced Alpha-Energy Spectroscopy in Liquids," Journal of Radioanalytical and Nuclear Chemistry 263:291-4.
Addleman, RS, MJ O'Hara, TD Marks, JW Grate, and OB Egorov. 2005. "Direct Actinide Assay with Surface Passivated Silicon Diodes," Journal of Radioanalytical and Nuclear Chemistry 263:295-300.
Aida, M and M Dupuis. 2005. "Fundamental Absorption Frequency from Quasi-Classical Direct Ab Initio Molecular Dynamics: Diatomic Molecule," Chemical Physics Letters 401:170-4.
Ainsworth, CC, JM Zachara, KB Wagnon, SG McKinley, C Liu, SC Smith, HT Schaef, and PL Gassman. 2005. "Impact of Highly Basic Solutions on Sorption of Cs+ to Subsurface Sediments from the Hanford Site, USA," Geochimica et Cosmochimica Acta 69:4787-800.
Alexandrova, AN, AI Boldyrev, HJ Zhai, and LS Wang. 2005. "Photoelectron Spectroscopy and Ab Initio Study of the Doubly Antiaromatic B62- Dianion in the LiB6- Cluster," Journal of Chemical Physics 122:054313.
Alexandrova, AN, AI Boldyrev, HJ Zhai, and LS Wang. 2005. "Cu3C4-: A New Sandwich Molecule with Two Revolving C22- Units," Journal of Physical Chemistry A 109:562-70.
Alvarez, J, RG Cooks, SE Barlow, DJ Gaspar, JH Futrell, and J Laskin. 2005. "Preparation and In Situ Characterization of Surfaces Using Soft-Landing in a Fourier Transform Ion Cyclotron Resonance Mass Spectrometer," Analytical Chemistry 77:3452-60.
Azad, S, OA Marina, CM Wang, LV Saraf, V Shutthanandan, DE McCready, A El-Azab, JE Jaffe, MH Engelhard, CHF Peden, and S Thevuthasan. 2005. "Nanoscale Effects on Ion Conductance of Layer-by-Layer Structures of Gadolinia-Doped Ceria and Zirconia," Applied Physics Letters 86:131906.
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Bachorz, RA, M Haranczyk, I Dabkowska, J Rak, and MS Gutowski. 2005. "Anion of the Formic Acid Dimer as a Model for Intermolecular Proton Transfer Induced by a P* Excess Electron," Journal of Chemical Physics 122:article #204304.
Bachorz, RA, J Rak, and MS Gutowski. 2005. "Stabilization of Very Rare Tautomers of Uracil by an Excess Electron," Physical Chemistry Chemical Physics 7:2116-25.
Baer, DR. 2005. "Summary: Update to ASTM Guide E 1523 to Charge Control and Charge Referencing Techniques in X-Ray Photoelectron Spectroscopy," Journal of Vacuum Science and Technology A 23:577-8.
Baer, DR. 2005. "Summary of Iso/Tc 201 Standard: XVIII, ISO 19318: 2004 -- Surface Chemical Analysis -- X-Ray Photoelectron Spectroscopy - Reporting of Methods Used for Charge Control and Charge Correction," Surface and Interface Analysis 37:524-6.
Baer, DR, MH Engelhard, DJ Gaspar, DW Matson, KH Pecher, JR Williams, and CM Wang. 2005. "Challenges in Applying Surface Analysis Methods to Nanoparticles and Nanostructured Materials," Journal of Surface Analysis 12:101-8.
Baer, DR, MH Engelhard, AS Lea, and LV Saraf. 2005. "Simple Method for Estimating and Comparing of X-Ray Damage Rates," Journal of Vacuum Science and Technology A 23:1740-4.
Batista, E, P Ayotte, A Bilic, BD Kay, and H Jonsson. 2005. "What Determines the Sticking Probability of Water Molecules on Ice?," Physical Review Letters 95:223201.
Boily, JF and TM Seward. 2005. "Dissociation of Fumaric Acid: Spectrophotometric Investigation in Aqueous Solutions from 10 to 90 degrees C and Theoretical Considerations," Journal of Solution Chemistry 34:1167-90.
Boily, JF and TM Seward. 2005. "On the Dissociation of Methyl Orange: Spectrophotometric Investigation in Aqueous Solutions from 10 to 90 degrees C and Theoretical Evidence for Intramolecular Dihydrogen Bonding," Journal of Solution Chemistry 34:1387-406.
Boldyrev, AI and LS Wang. 2005. "All-Metal Aromaticity and Antiaromaticity," Chemical Reviews 105:3716-57.
Bouanich, JP, C Boulet, A Predoi-Cross, SW Sharpe, RL Sams, MAH Smith, CP Rinsland, DC Benner, and VM Devi. 2005. "A Multispectrum Analysis of the V2 Band of H12C14N: Part II. Theoretical Calculations of Self-Broadening, Self-Induced Shifts, and Their Temperature Dependences," Journal of Molecular Spectroscopy 231:85-95.
Bruzek, AK, CJ Bruckner-Lea, and BP Dockendorff. 2005. "Automated RNA Extraction and Purification for Multiplexed Pathogen Detection," Journal of Undergraduate Research V:112.
Bryantsev, V, TK Firman, and BP Hay. 2005. "Conformational Analysis and Rotational Barriers of Alkyl- and Phenyl-Substituted Urea Derivatives," Journal of Physical Chemistry A 109:832-42.
Bryantsev, V and BP Hay. 2005. "Using the MMFF94 Model to Predict Structures and Energies for Hydrogen-Bonded Urea-Anion Complexes," Journal of Molecular Structure: Theochem 725:177-82.
Bryantsev, V and BP Hay. 2005. "Are C-H Groups Significant Hydrogen Bonding Sites in Anion Receptors? Benzene Complexes with Cl-, NO3-, and ClO4-," Journal of the American Chemical Society 127:8282-3.
Bryantsev, V and BP Hay. 2005. "Influence of Substituents on the Strength of Aryl C-H Anion Hydrogen Bonds," Organic Letters 7:5031-4.
Bylaska, EJ, M Dupuis, and PG Tratnyek. 2005. "Ab Initio Electronic Structure Study of One-Electron Reduction of Polychlorinated Ethylenes," Journal of Physical Chemistry A 109:5905-16.
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Camaioni, DM and CA Schwerdtfeger. 2005. "Comment on Accurate Experimental Values for the Free Energies of Hydration of H+, OH-, and H3O+," Journal of Physical Chemistry A 109:10795-7.
Campbell, CT and CHF Peden. 2005. "Chemistry - Oxygen Vacancies and Catalysis on Ceria Surfaces," Science 309:713-4.
Chambers, SA, TC Droubay, and TC Kaspar. "Epitaxial Growth and Properties of Magnetically Doped TiO2, in " Thin Films and Heterostructures for Oxide Electronics," ed. SB Ogale, Springer, New York, NY, pp. 219-47.
Chambers, SA, JR Williams, MA Henderson, AG Joly, M Varela, and SJ Pennycook. 2005. "Structure, Band Offsets and Photochemistry at Epitaxial a-Cr2O3/a-Fe2O3 Heterojunctions," Surface Science 587:L197-L207.
Chang, JH, GJ Exarhos, and YK Shin. 2005. "Biomimetic Catalysis of Tailored Mesoporous Materials with the Self-Assembled Multifunctional Monolayers," Journal of Industrial & Engineering Chemistry 11:375-80.
Chang, JH, CH Shim, BJ Kim, Y Shin, GJ Exarhos, and KJ Kim. 2005. "Bicontinuous, Thermoresponsive, L-3-Phase Silica Nanocomposites and Their Smart Drug-Delivery Applications," Advanced Materials 17:634-7.
Chang, TM and LX Dang. 2005. "Liquid-Vapor Interface of Methanol-Water Mixtures: A Molecular Dynamics Study," Journal of Physical Chemistry B 109:5759-65.
Chartier, A, C Meis, JP Crocombette, WJ Weber, and LR Corrales. 2005. "Molecular Dynamic Simulation of Disorder Induced Amorphization in Pyrochlore," Physical Review Letters 94:025505.
Chen, W, JO Bovin, S Wang, AG Joly, Y Wang, and PM Sherwood. 2005. "Fabrication and Luminescence of ZnS: Mn2+ Nanoflowers," Journal of Nanoscience and Nanotechnology 5:1309-22.
Chen, W, AG Joly, and DE McCready. 2005. "Upconversion Luminescence from CdSe Nanoparticles," Journal of Chemical Physics 122:224708 (7 pages).
Chen, W, S Wang, SL Westcott, JZ Zhang, K Dou, AG Joly, and DE McCready. 2005. "Structure and Luminescence of BaFBr: Eu2+ and BaFBr: Eu2+, Tb3+ Phosphors and Thin Films," Journal of Applied Physics 97:083506.
Chen, Y, JL Fulton, JC Linehan, and T Autrey. 2005. "In-Situ XAFS and NMR Study of Rhodium Catalyzed Dehydrogenation of Dimethylamine Borane," Journal of the American Chemical Society 127:3254-5.
Chen, Y, JL Fulton, and W Partenheimer. 2005. "A XANES and EXAFS Study of Hydration and Ion Pairing in Ambient Aqueous MnBr2 Solutions," Journal of Solution Chemistry 34:993-1007.
Chen, Y, JL Fulton, and W Partenheimer. 2005. "The Structure of the Homogeneous Oxidation Catalyst, Mn2+Br-X, in Supercritical Water: An X-Ray Absorption Fine Structure Study," Journal of the American Chemical Society 127:14085-93.
Cicerrella, E, JL Freeouf, LF Edge, DG Schlom, T Heeg, J Schubert, and SA Chambers. 2005. "Optical Properties of La-Based High-K Dielectric Films," Journal of Vacuum Science and Technology A 23:1676-80.
Conradson, SD, BD Begg, DL Clark, CJ Den Auwer, M Din, PK Dorhout, FJ Espinosa-Faller, PL Gordon, RG Haire, NJ Hess, RF Hess, DW Keogh, GH Lander, D Manara, LA Morales, MP Neu, P Paviet-Hartmann, J Rebizant, VV Rondinella, W Runde, CD Tait, DK Veirs, PM Villella, and F Wastin. 2005. "Charge Distribution and Local Structure and Speciation in the UOX2+ and PuOX2+ Binary Oxides for X = 0.25 ," Journal of Solid State Chemistry 178:521-35.
Corrales, LR. 2005. "Free Energy Profiles of Al3+ and La3+ Cation Distribution in Silica and Soda Silicate Glasses," Journal of Non-crystalline Solids 351:401-8.
Corrales, LR, A Chartier, and R Devanathan. 2005. "Excess Kinetic Energy Dissipation in Materials," Nuclear Instruments and Methods in Physics Research B 228:274-81.
Corrales, LR and J Du. 2005. "Thermal Kinetics of Glass Simulations," Physics and Chemistry of Glasses 46:420-4.
Craig, NC, KA Hanson, MC Moore, and RL Sams. 2005. "Rotational Analysis of Several Bands in the High-Resolution Infrared Spectrum of Butadiene-1-13C1: Assignment of Vibrational Fundamentals ," Journal of Molecular Structure 742:21-9.
Custelcean, R, BA Moyer, and BP Hay. 2005. "A Coordinatively Saturated Sulfate Encapsulated in a Metal-Organic Framework Functionalized with Urea Hydrogen-Bonding Groups," Chemical Communications 5971-3.
D
Dabbs, DM, U Ramachandran, S Lu, J Liu, LQ Wang, and IA Aksay. 2005. "Inhibition of Aluminum Oxyhydroxide Precipitation with Citric Acid," Langmuir 21:11690-5.
Dabkowska, I, MS Gutowski, and J Rak. 2005. "Interaction with Glycine Increases Stability of a Mutagenic Tautomer of Uracil. A Density Functional Theory Study," Journal of the American Chemical Society 127:2238-48.
Dabkowska, I, J Rak, and MS Gutowski. 2005. "DNA Strand Breaks Induced by Concerted Interaction of H Radicals and Low-Energy Electrons. A Computational Study of the Nucleotide of Cytosine," European Physical Journal D 35:429-35.
Daschbach, JL, Z Dohnalek, S Liu, RS Smith, and BD Kay. 2005. "Water Adsorption, Desorption, and Clustering on FeO(111)," Journal of Physical Chemistry B 109:10362-70.
Daschbach, JL, J Kim, P Ayotte, RS Smith, and BD Kay. 2005. "Adsorption and Desorption of HCl on Pt(111)," Journal of Physical Chemistry B 109:15506-14.
Del Negro, AS, Z Wang, CJ Seliskar, W Heineman, BP Sullivan, SE Hightower, TL Hubler, and SA Bryan. 2005. "Luminescence from the Trans-Dioxotechnetium(V) Chromophore," Journal of the American Chemical Society 127:14978-9.
Devanathan, R, LR Corrales, WJ Weber, A Chartier, and C Meis. 2005. "Molecular Dynamics Simulation of Defect Production in Collision Cascades in Zircon," Nuclear Instruments and Methods in Physics Research B 228:299-303.
Devanathan, R and WJ Weber. 2005. "Insights into the Radiation Response of Pyrochlores from Calculations of Threshold Displacement Events," Journal of Applied Physics 98:086110.
Devi, VM, DC Benner, MAH Smith, CP Rinsland, A Predoi-Cross, SW Sharpe, RL Sams, C Boulet, and JP Bouanich. 2005. "A Multispectrum Analysis of the V2 Band of H12C14N: Part I. Intensities, Broadening and Shift Coefficients," Journal of Molecular Spectroscopy 231:66-84.
Disselkamp, RS, KM Denslow, TR Hart, JF White, and CHF Peden. 2005. "The Effect of Cavitating Ultrasound on the Aqueous Phase Hydrogenation of Cis-2-Buten-1-Ol and Cis-2-Penten-1-Ol on Pd-Black," Applied Catalysis. A, General 288:62-6.
Disselkamp, RS, TR Hart, AM Williams, JF White, and CHF Peden. 2005. "Ultrasound-Assisted Hydrogenation of Cinnamaldehyde," Ultrasonics Sonochemistry 12:319-24.
Dixon, DA and MS Gutowski. 2005. "Thermodynamic Properties of Molecular Borane Amines and the [BH4-][NH4+] Salt for Chemical Hydrogen Storage Systems from Ab Initio Electronic Structure Theory," Journal of Physical Chemistry A 109:5129-35.
Dong, J, L Opresko, WB Chrisler, G Orr, RD Quesenberry, DA Lauffenburger, and HS Wiley. 2005. "The Membrane-Anchoring Domain of Epidermal Growth Factor Receptor Ligands Dictates Their Ability to Operate in Juxtacrine Mode," Molecular Biology of the Cell 16:2984-98.
Dong, W, WP Ball, C Liu, Z Wang, AT Stone, J Bai, and JM Zachara. 2005. "Influence of Calcite and Dissolved Calcium on Uranium(VI) Sorption to a Hanford Subsurface Sediment," Environmental Science and Technology 39:7949-55.
Droubay, TC, SM Heald, V Shutthanandan, S Thevuthasan, SA Chambers, and J Osterwalder. 2005. "Cr-Doped TiO2 Anatase- a Ferromagnetic Insulator," Journal of Applied Physics 97:046103.
Du, N and LR Corrales. 2005. "First Sharp Diffraction Peak in Silica Glasses: Structure and Scattering Length Dependence," Physical Review B 72:092201.
E
Egorov, OB, RS Addleman, MJ O'Hara, TD Marks, and JW Grate. 2005. "Direct Measurement of Alpha Emitters in Liquids Using Passivated Ion Implanted Planar Silicon (PIPS) Diode Detectors," Nuclear Instruments and Methods in Physics Research A 537:600-9.
Egorov, OB, MJ O'Hara, and JW Grate. 2005. "Automated Radiochemical Analysis of Total 99Tc in Aged Nuclear Waste Processing Streams," Journal of Radioanalytical and Nuclear Chemistry 263:629-33.
Egorov, OB, MJ O'Hara, JW Grate, MA Knopf, G Anderson, and JS Hartman. 2005. "Radiochemical Sensor System for the Analysis of 99Tc(VII) in Groundwater," Journal of Radioanalytical and Nuclear Chemistry 264:495-500.
Elliott, BM, E Koyle, AI Boldyrev, XB Wang, and LS Wang. 2005. "MX3- Superhalogens (M=Be, Mg, Ca; X=C1, Br): A Photoelectron Spectroscopic and Ab Initio Theoretical Study," Journal of Physical Chemistry A 109:11560-7.
Ewald, G, W Nortershauser, A Dax, S Gotte, R Kirchner, HJ Kluge, T Kuhl, R Sanchez, A Wojtaszek, BA Bushaw, GWF Drake, ZC Yan, and C Zimmermann. 2005. "Erratum: Nuclear Charge Radii of 8,9Li Determined by Laser Spectroscopy [Phys. Rev. Lett. 93, 113002 (2004)]," Physical Review Letters 94:039901.
Exarhos, GJ, AH Guenther, N Kaiser, KL Lewis, MJ Soileau, and CJ Stolz. Laser-Induced Damage in Optical Materials: 2004. Boulder, CO: SPIE2005.
F
Fanourgakis, GS, E Apra, WA De Jong, and SS Xantheas. 2005. "High-Level Ab-Initio Calculations for the Four Low-Lying Families of Minima of (H2O)20: II. Spectroscopic Signatures of the Dodecahedron, Fused Cubes, Face-Sharing Pentagonal Prisms, and Edge-Sharing Pentagonal Prisms Hydrogen Bonding Networks," Journal of Chemical Physics 122:134304.
Felmy, AR, YX Xia, and ZM Wang. 2005. "The Solubility Product of NaUO2PO2.xH2O Determined in Phosphate and Carbonate Solutions," Radiochimica Acta 93:401-8.
Fu, Y, S Niu, T Ichiye, and LS Wang. 2005. "Electronic Structure and Intrinsic Redox Properties of [2Fe-2S]+ Clusters with Tri- and Tetracoordinate Iron Sites," Inorganic Chemistry 44:1202-4.
Fu, Y, X Yang, XB Wang, and LS Wang. 2005. "Probing the Electronic Structure of [2Fe-2S] Clusters with Three Coordinate Iron Sites by Use of Photoelectron Spectroscopy," Journal of Physical Chemistry A 109:1815-20.
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Gan, X, BM Rapko, EN Duesler, I Binyamin, RT Paine, and BP Hay. 2005. "The Synthesis and Lanthanide Coordination Chemistry of 2,6-Bis[(Dicyclohexyl)Phosphino-Methyl]Pyridine N,P,P'-Trioxide. The Crystal Structure of 2,6-Bis[(Dicyclohexyl)Phosphinomethyl] Pyridine N,P,P'-Trioxide Erbium(III) Nitrate," Polyhedron 24:469-74.
Gao, F, EJ Bylaska, and WJ Weber. 2005. "Defect Properties in GÃN: Ab Initio and Empirical Potential Calculations in PRICM 5: The Fifth Pacific Rim International Conference on Advanced Materials and Processing," Trans Tech Publications Ltd, Zurich-Uetikon, pp. 3087-90.
Gao, F, R Devanathan, Y Zhang, and WJ Weber. 2005. "Annealing Simulations of Nano-Sized Amorphous Structures in SiC," Nuclear Instruments and Methods in Physics Research B 228:282-7.
Gao, F, HL Heinisch, RJ Kurtz, YN Osetsky, and RG Hoagland. 2005. "Migration and Directional Change of Interstitial Clusters in a-Fe: Searching for Transition States by the Dimer Method," Philosophical Magazine 85:619-27.
Gao, F and WJ Weber. 2005. "Atomic-Level Computer Simulation of SiC: Defect Accumulation, Mechanical Properties and Defect Recovery," Philosophical Magazine 85:509-18.
Garrett, BC, DA Dixon, DM Camaioni, DM Chipman, MA Johnson, CD Jonah, GA Kimmel, JH Miller, TN Rescigno, PJ Rossky, SS Xantheas, SD Colson, AH Laufer, D Ray, PF Barbara, DM Bartels, KH Becker, H Bowen, SE Bradforth, I Carmichael, JV Coe, LR Corrales, JP Cowin, M Dupuis, KB Eisenthal, JA Franz, MS Gutowski, KD Jordan, BD Kay, JA LaVerne, SV Lymar, TE Madey, CW McCurdy, D Meisel, S Mukamel, AR Nilsson, TM Orlando, NG Petrik, SM Pimblott, JR Rustad, GK Schenter, SJ Singer, A Tokmakoff, LS Wang, C Wittig, and TS Zwier. 2005. "Role of Water in Electron-Initiated Processes and Radical Chemistry: Issues and Scientific Advances," Chemical Reviews 105:355-89.
Gaspar, DJ, MH Engelhard, MC Henry, and DR Baer. 2005. "Erosion Rate Variations During XPS Sputter Depth Profiling of Nanoporous Films," Surface and Interface Analysis 37:417-23.
Gibbs, GV, DF Cox, N Ross, TD Crawford, J Burt, and KM Rosso. 2005. "A Mapping of the Electron Localization Function for Earth Materials," Physics and Chemistry of Minerals 32:208-21.
Gibbs, GV, DF Cox, KM Rosso, A Kirfel, T Lippmann, P Blaha, and K Schwarz. 2005. "Experimental and Theoretical Bond Critical Point Properties for Model Electron Density Distributions for Earth Materials," Physics and Chemistry of Minerals 32:114-25.
Gibbs, GV, RT Downs, CT Prewitt, KM Rosso, N Ross, and DF Cox. 2005. "Electron Density Distributions Calculated for the Ni-Sulfides Millerite, Vaesite and Heazlewoodite and Nickel Metal: A Case for the Importance of NiNi Bond Paths for Electron Transport," Journal of Physical Chemistry B 109:21788-95.
Glezakou, V, Y Chen, JL Fulton, GK Schenter, and LX Dang. 2005. "Electronic Structure, Statistical Mechanical Simulations, and EXAFS Spectroscopy of Aqueous Potassium," Theoretical Chemistry Accounts 115:86-99.
Gologan, B, JR Green, J Alvarez, J Laskin, and RG Cooks. 2005. "Ion/Surface Reactions and Ion Soft-Landing," Physical Chemistry Chemical Physics 7:1490-500.
Gonzalez-Gil, G, JE Amonette, MF Romine, YA Gorby, and G Geesey. 2005. "Bioreduction of Natural Specular Hematite under Flow Conditions," Geochimica et Cosmochimica Acta 69:1145-55.
Gorby, YA, VP Biju, D Pan, JS McLean, D Saffarini, JK Fredrickson, and HP Lu. 2005. "Display and Retraction of Outer Membrane Cytochromes by Shewanella Oneidensis in Response to Electron Acceptor Availability," Geochimica Et Cosmochimica Acta 69:A671-A.
Grate, JW, NC Anheier, and DL Baldwin. 2005. "Progressive Thermal Desorption of Vapor Mixtures from a Preconcentrator with a Porous Metal Foam Internal Architecture and Variable Thermal Ramp Rates," Analytical Chemistry 77:1867-75.
Grate, JW, OB Egorov, and MJ O'Hara. 2005. "Sensors and Automated Analyzers for Radionuclides" in ACS Symposium Series 904: Subsurface Contamination Remediation: Accomplishments of the Environmental Management Science Program Symposium, American Chemical Society, Washington, DC, pp. 322-41.
Grate, JW, DA Nelson, and RL Skaggs. 2005. "Sorptive Properties of Monolayer-Protected Gold Nanoparticle Films for Chemical Vapor Sensors & Arrays" in ACS Symposium Series 890, Nanotechnology and the Environment: Applications and Implications, American Chemical Society, Washington, DC, pp. 157-62.
Griffin, KA, A Pakhomov, CM Wang, SM Heald, and KM Krishnan. 2005. "Cobalt-Doped Anatase TiO2: A Room Temperature Dilute Magnetic Dielectric Material," Journal of Applied Physics 97:10D320.
Griffin, KA, A Pakhomov, CM Wang, SM Heald, and KM Krishnan. 2005. "Intrinsic Ferromagnetism in Insulating Cobalt Doped Anatase TiO2," Physical Review Letters 94:157204.
Gutowska, A, L Li, Y Shin, CM Wang, XS Li, JC Linehan, RS Smith, BD Kay, BA Schmid, WJ Shaw, MS Gutowski, and T Autrey. 2005. "Nano-Scaffold Mediates Hydrogen Release and Reactivity of Ammonia Borane," Angewandte Chemie International Edition 44:3578-82.
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Hand, JL, WC Malm, A Laskin, DE Day, TB Lee, CM Wang, CE Carrico, JR Carrillo, JP Cowin, JG Collett, and MJ Iedema. 2005. "Optical, Physical and Chemical Properties of Tar Balls Observed During the Yosemite Aerosol Characterization Study," Journal of Geophysical Research D 110:D21210.
Haranczyk, M and MS Gutowski. 2005. "Finding Adiabatically Bound Anions of Guanine through a Combinatorial Computational Approach," Angewandte Chemie International Edition 44:6585-8.
Haranczyk, M and MS Gutowski. 2005. "Valence and Dipole-Bound Anions of the Most Stable Tautomers of Guanine," Journal of the American Chemical Society 127:699-706.
Haranczyk, M, J Rak, and MS Gutowski. 2005. "Stabilization of Very Rare Tautomers of 1-Methylcytosine by an Excess Electron," Journal of Physical Chemistry A 109:11495-503.
Haranczyk, M, J Rak, MS Gutowski, D Radisic, ST Stokes, and KH Bowen. 2005. "Intermolecular Proton Transfer in Anionic Complexes of Uracil with Alcohols," Journal of Physical Chemistry B 109:13383-91.
Hay, BP, TK Firman, and BA Moyer. 2005. "Structural Design Criteria for Anion Hosts: Strategies for Achieving Anion Shape Recognition through the Complementary Placement of Urea Donor Groups," Journal of the American Chemical Society 127:1810-9.
Hay, BP, AA Oliferenko, J Uddin, C Zhang, and TK Firman. 2005. "Search for Improved Host Architectures: Application of De Novo Structure-Based Design and High-Throughput Screening Methods to Identify Optimal Building Blocks for Multidentate Ethers," Journal of the American Chemical Society 127:17043-53.
Heinisch, HL and WJ Weber. 2005. "Computational Model of Alpha-Decay Damage Accumulation in Zircon," Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms 228:293-8.
Hemesath, ER and LR Corrales. 2005. "Sensitivity of Structural Results to Initial Configurations and Quench Algorithms of Lead Silicate Glass," Journal of Non-crystalline Solids 351:1522-31.
Henderson, MA. 2005. "Photooxidation of Acetone on TiO2(110): Conversion to Acetate Via Methyl Radical Ejection," Journal of Physical Chemistry B 109:12062-70.
Henderson, MA. 2005. "Acetone and Water on TiO2 (110): Competition for Sites," Langmuir 21:3443-50.
Henderson, MA. 2005. "Acetone and Water on TiO2(110): H/D Exchange," Langmuir 21:3451-8.
Hendriks, BS, G Orr, AH Wells, HS Wiley, and DA Lauffenburger. 2005. "Parsing ERK Activation Reveals Quantitatively Equivalent Contributions from Epidermal Growth Factor Receptor and HER2 in Human Mammary Epithelial Cells," Journal of Biological Chemistry 280:6157-69.
Henyk, M, KM Beck, MH Engelhard, AG Joly, WP Hess, and JT Dickinson. 2005. "Surface Electronic Properties and Site-Specific Laser Desorption Processes of Highly Structured Nanoporous MgO Thin Films," Surface Science 593:242-7.
Herricks, TE, SH Kim, J Kim, D Li, JH Kwak, JW Grate, SH Kim, and Y Xia. 2005. "Direct Fabrication of Enzyme-Carrying Polymer Nanofibers by Electrospinning," Journal of Materials Chemistry 15:3241-5.
Hess, WP, AG Joly, KM Beck, M Henyk, PV Sushko, PE Trevisanutto, and AL Shluger. 2005. "Laser Control of Desorption through Selective Surface Excitation," Journal of Physical Chemistry B 109:19563-78.
Hirata, S, M Valiev, M Dupuis, SS Xantheas, SI Sugiki, and H Sekino. 2005. "Fast Electron Correlation Methods for Molecular Clusters in the Ground and Excited States," Molecular Physics 103:2255-65.
Hornekaer, L, A Baurichter, VV Petrunin, AC Luntz, BD Kay, and A Al-Halabi. 2005. "Influence of Surface Morphology on D2 Desorption Kinetics from Amorphous Solid Water," Journal of Chemical Physics 122:124701.
Hu, D and HP Lu. 2005. "Single-Molecule Triplet-State Photon Antibunching at Room Temperature," Journal of Physical Chemistry B 109:9861-4.
Hu, JZ, JH Kwak, JE Herrera, Y Wang, and CHF Peden. 2005. "Line Narrowing in 1H Mas Spectrum of Mesoporous Silica by Removing Adsorbed H2O Using N2," Solid State Nuclear Magnetic Resonance 27:200-5.
Huang, X, HJ Zhai, B Kiran, and LS Wang. 2005. "Observation of D-Orbital Aromaticity," Angewandte Chemie International Edition 44:7251-4.
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Ilton, ES and P Bagus. 2005. "Many-Body Effects in the 4f X-Ray Photoelectron Spectroscopy of the U5+ and U4+ Free Ions," Physical Review B 71:195121.
Ilton, ES, A Haiduc, CL Cahill, and AR Felmy. 2005. "Mica Surfaces Stabilize Pentavalent Uranium," Inorganic Chemistry 44:2986-8.
Iordanova, NI, M Dupuis, and KM Rosso. 2005. "Charge Transport in Metal Oxides: A Theoretical Study of Hematite Alpha-Fe2O3," Journal of Chemical Physics 122:144305.
Iordanova, NI, M Dupuis, and KM Rosso. 2005. "Theoretical Characterization of Charge Transport in Chromia (Alpha-Cr2O3) ," Journal of Chemical Physics 123:074710 (1-11).
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Jaffe, JE, RA Bachorz, and MS Gutowski. 2005. "Low-Temperature Polymorphs of ZrO2 and HfO2. A Density Functional Theory Study," Physical Review B 72:144107.
Jaffe, JE, TC Droubay, and SA Chambers. 2005. "Oxygen Vacancies and Ferromagnetism in CoxTi3-XO2-X-Y," Journal of Applied Physics 97:073908.
Ji, M, X Gu, X Li, X Gong, J Li, and LS Wang. 2005. "Experimental and Theoretical Investigation of the Electronic and Geometrical Structures of the Special Au32 Cluster," Angewandte Chemie International Edition 44:7119-23.
Jiang, W, V Shutthanadan, S Thevuthasan, DE McCready, and WJ Weber. 2005. "Erratum To: "Carbon Analysis Using Energetic Ion Beams" [Nucl. Instr. And Meth. B 222 (2004) 538-546]," Nuclear Instruments and Methods in Physics Research B 227:450-1.
Jiang, W, V Shutthanandan, S Thevuthasan, CM Wang, and WJ Weber. 2005. "Nitrogen Analysis Using Energetic Ion Beams," Surface and Interface Analysis 37:374-8.
Jiang, W, WJ Weber, and LA Boatner. 2005. "Accumulation and Recovery of Disorder in Au2+-Irradiated Cd2Nb2O7," Nuclear Instruments and Methods in Physics Research B 241:372-6.
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Kathmann, SM, GK Schenter, and BC Garrett. 2005. "Ion-Induced Nucleation: The Importance of Chemistry," Physical Review Letters 94:116104.
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Kim, DH, YH Chin, JH Kwak, J Szanyi, and CHF Peden. 2005. "Changes in Ba Phases in BaO/Al2O3 Upon Thermal Aging and H2O Treatment ," Catalysis Letters 105:259-68.
Kim, J, Z Dohnalek, and BD Kay. 2005. "Cryogenic CO2 Formation on Oxidized Gold Clusters Synthesized Via Reactive Layer Assisted Deposition," Journal of the American Chemical Society 127:14592-3.
Kim, J, Z Dohnalek, and BD Kay. 2005. "Structural Characterization of Nanoporous Pd Films Grown Via Ballistic Deposition," Surface Science 586:137-45.
Kim, J and JW Grate. 2005. "Nano-Biotechnology in Using Enzymes for Environmental Remediation: Single-Enzyme Nanoparticles" in ACS Symposium Series, Nanotechnology and the Environment: Applications and Implications, American Chemical Society, Washington DC, pp. 220-5.
Kim, J, JW Grate, and P Wang. 2005. "Nanostructures for Enzyme Stabilization," Chemical Engineering Science 61:1017-26.
Kim, J, JH Kwak, A Dohnalkova, and JW Grate. 2005. "Simple Fabrication of Highly-Sensitive and Fast Glucose Biosensor Using Enzyme Immobilized in Mesocellular Carbon Foam," Advanced Materials 17:2828-33.
Kim, J, J Lee, HB Na, BC Kim, J Youn, JH Kwak, K Moon, E Lee, J Kim, J Park, A Dohnalkova, HG Park, MB Gu, HN Chang, JW Grate, and T Hyeon. 2005. "A Magnetically Separable, Highly Stable Enzyme System Based on Nanocomposites of Enzymes and Magnetic Nanoparticles Shipped in Hierarchically Ordered, Mesocellular, Mesoporous Silica," Small 1:1203-7.
Kimmel, GA, NG Petrik, Z Dohnalek, and BD Kay. 2005. "Crystalline Ice Growth on Pt(111): Observation of a Hydrophobic Water Monolayer," Physical Review Letters 95:166102.
Kiran, B, S Bulusu, HJ Zhai, S Yoo, X C Zeng, and LS Wang. 2005. "Planar-to-Tubular Structural Transition in Boron Clusters: B20 as the Embryo of Single-Walled Boron Nanotubes," Proceedings of the National Academy of Sciences of the United States of America 102:961-4.
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Krueger, BJ, VH Grassian, JP Cowin, and A Laskin. 2005. "Erratum to "Heterogeneous Chemistry of Individual Mineral Dust Particles from Different Dust Source Regions: The Importance of Particle Mineralogy [Atmos.Environ.38 (36)(2004)6253 - 6261]," Atmospheric Environment 39:395.
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Laskin, A, TW Wietsma, BJ Krueger, and VH Grassian. 2005. "Heterogeneous Chemistry of Individual Mineral Dust Particles with Nitric Acid. A Combined CCSEM/EDX, ESEM, and ICP-MS Study," Journal of Geophysical Research D 110:D10208.
Laskin, J and Futrell. 2005. "Activation of Large Ions in FT-ICR Mass Spectrometry," Mass Spectrometry Reviews 24:135-67.
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Lee, CS, HJ Lee, SW Choi, JH Kwak, and CHF Peden. 2005. "Structural and Catalytic Properties of the Alkali Metal Ion-Exchanged Y-Zeolites by 29Si and 27Al Solid-State NMR and FT-IR Spectroscopy," Key Engineering Materials 277-279:708-19.
Lee, CS, SH Noh, SS Kim, SH Suh, and CHF Peden. 2005. "Physical and Catalytic Properties of the Na-Exchanged Y-Zeolites with Different Si/Al Ratios," Key Engineering Materials 277-279:720-31.
Lee, D, J Lee, J Kim, J Kim, HB Na, B Kim, CH Shin, JH Kwak, A Dohnalkova, JW Grate, T Hyeon, and HS Kim. 2005. "Simple Fabrication of a Highly Sensitive and Fast Glucose Biosensor Using Enzymes Immobilized in Mesocellular Carbon Foam," Advanced Materials 17:2828-33.
Lee, J, J Kim, J Kim, H Jia, MI Kim, H Kwak, S Jin, A Dohnalkova, HG Park, HN Chang, P Wang, JW Grate, and T Hyeon. 2005. "Simple Synthesis of Hierarchically Ordered Mesocellular Mesoporous Silica Materials Hosting Crosslinked Enzyme Aggregates," Small 1:744-53.
Lee, J, D Lee, E Oh, J Kim, YP Kim, S Jin, HS Kim, Y Hwang, JH Kwak, JG Park, CH Shin, J Kim, and T Hyeon. 2005. "Preparation of a Magnetically Switchable Bioelectrocatalytic System Employing Cross-Linked Enzyme Aggregates in Magnetic Mesocellular Carbon Foam," Angewandte Chemie International Edition 44:7427-32.
Li, H, M Qian, DM Strachan, and Z Wang. 2005. "Structure of Glass-Informing Melts-Lanthanide Borosilicates," in Melt Chemistry, Relaxation, and Solidification Kinetics of Glasses, American Ceramic Society, Westerville, OH, pp. 69.
Li, X, B Kiran, L Cui, and LS Wang. 2005. "Magnetic Properties in Transition-Metal-Doped Gold Clusters: M@Au6 (M=Ti, V, Cr)," Physical Review Letters 95:253401.
Li, X, B Kiran, and LS Wang. 2005. "Gold as Hydrogen, an Experimental and Theoretical Study of the Structures and Bonding in Disilicon Gold Clusters Si2Aun- and Si2Aun (n=2 and 4) and Comparisons to Si2H2 and Si2H4," Journal of Physical Chemistry A 109:4366-74.
Li, X and LS Wang. 2005. "Probing the Electronic Structure of Mono-Nitrogen Doped Aluminum Clusters Using Anion Photoelectron Spectroscopy," European Physical Journal D 34:9-14.
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