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. A link to a DOI resolving site is provided, where a DOI was available.
2006
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
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Alexandrova AN, AI Boldyrev, H Zhai, and LS Wang. 2006. "All-Boron Aromatic Clusters as Potential New Inorganic Ligands and Building Blocks in Chemistry." Coordination Chemistry Reviews 250(21-22):2811-2866.
Alvarez J, JH Futrell, and J Laskin. 2006. "Soft-Landing of Peptides onto Self-Assembled Monolayer Surfaces." Journal of Physical Chemistry A 110(4):1678-1687. doi:10.1021/jp0555044
Antony JJ, Y Qiang, DR Baer, and CM Wang. 2006. "Synthesis and Characterization of Stable Iron–Iron Oxide Core–Shell Nanoclusters for Environmental Applications." Journal of Nanoscience and Nanotechnology 6(2):568-572. doi:10.1166/jnn.2006.074
Arvidson RS, M Collier, KJ Davis, MD Vinson, JE Amonette, and A Luttge. 2006. "Magnesium Inhibition of Calcite Dissolution Kinetics." Geochimica et Cosmochimica Acta 70(3):583-594.
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Bagus P and ES Ilton. 2006. "Effects of Covalency on the p-Shell Photoemission of Transition Metals: MnO." Physical Review B, Condensed Matter 73(15):155110.
Bagus P, C Woll, and ES Ilton. 2006. "A Definitive Analysis of the Rydberg and Valence Anti-Bonding Character of States in the O K-Edge of H2O." Chemical Physics Letters 428(1-3):207-212. doi:10.1016/j.cplett.2006.07.030
Bai J, L Cui, J Wang, S Yoo, X Li, J Jellinek, C Koehler, T Frauenheim, LS Wang, and XC Zeng. 2006. "Structural Evolution of Anionic Silicon Clusters SiN (20≤N≤45)." Journal of Physical Chemistry A 110(3):908-912.
Beck KM, M Henyk, CM Wang, PE Trevisanutto, P Sushko, WP Hess, and AL Shluger. 2006. "Site-Specific Laser Modification of MgO Nanoclusters: Towards Atomic-Scale Surface Structuring." Physical Review B, Condensed Matter74:045404.
Bertino MF, Z Sun, R Zhang, and LS Wang. 2006. "Facile Syntheses of Monodisperse Ultra-Small Au Clusters." Journal of Physical Chemistry B 110(43):21416-21418. doi:10.1021/jp065227g
Bickmore BR, KM Rosso, CJ Tadanier, EJ Bylaska, and D Doud. 2006. "Bond-Valence Methods for pKa Prediction. II. Bond-Valence, Electrostatic, Molecular Geometry, and Solvation Effects." Geochimica et Cosmochimica Acta 70(16):4057-4071. doi:10.1016/j.gca.2006.06.006
Bluhm H, KJ Andersson, T Araki, K Benzerara, GE Brown, JR, JJ Dynes, S Ghosal, MK Gilles, HC Hansen, JC Hemminger, AP Hitchcock, G Ketteler, AL Kilcoyne, EM Kneedler, JR Lawrence, GG Leppard, J Majzlam, BS Mun, SC Myneni, AR Nilsson, H Ogasawara, DF Ogletree, KH Pecher, MB Salmeron, DK Shuh, B Tonner, T Tyliszczak, T Warwick, and TH Yoon. 2006. "Soft X-Ray Microscopy and Spectroscopy at the Molecular Environmental Science Beamline at the Advanced Light Source." Journal of Electron Spectroscopy and Related Phenomena 150(2-3):86-104.
Boggavarapu K, X Li, H Zhai, and LS Wang. 2006. "Gold as Hydrogen: Structural and Electronic Properties and Chemical Bonding in Si3Au3=/01- and Comparisons to Si3H3=/o1-." Journal of Chemical Physics 125(13): Art. No.133204. doi:10.1063/1.2216707
Boily JF and OM Suleimenov. 2006. "Extraction of Chemical Speciation and Molar Absorption Coeficients with Well-Posed Solutions of Beer's Law." Journal of Solution Chemistry 35(6):917-926.
Boily JF, J Szanyi, and AR Felmy. 2006. "A Combined FTIR and TPD Study on the Bulk and Surface Dehydroxylation and Decarbonation of Synthetic Goethite." Geochimica et Cosmochimica Acta 70(14):3613-3624.
Bondarchuk O, X Huang, J Kim, BD Kay, LS Wang, JM White, and Z Dohnalek. 2006. "Formation of Monodisperse (WO3)3 Clusters on Ti02(110)." Angewandte Chemie International Edition 45(29):4786-4789. doi:10.1002/anie.200600837
Boyles KR, SM Chajkowski, RS Disselkamp, and CHF Peden. 2006. "An Examination of the H/D Isotope Substitution Effect on Selectivity and Activity in the Cavitating Ultrasound Hydrogenation of Aqueous 3-Buten-2-ol and 1,4-Pentadien-3-ol on Pd-Black." Industrial and Engineering Chemistry Research 45(11):4015-4018. doi:10.1021/ie051347j
Brown C, T Jacques, NJ Hess, LL Daemen, E Mamontov, JC Linehan, AC Stowe, and T Autrey. 2006. "Dynamics of Ammonia Borane Using Neutron Scattering." Physica B Condensed Matter 385(Pt.1 ):266-268.
Bryantsev V and BP Hay. 2006. "Conformational Preferences and Internal Rotation in Alkyl- and Phenyl-Substituted Thiourea Derivatives." Journal of Physical Chemistry A 110(14):4678-4688. doi:10.1021/jp056906e
Bryantsev V and BP Hay. 2006. "De Novo Structure-Based Design of Bisurea Hosts for Tetrahedral Oxyanion Guests." Journal of the American Chemical Society 128(6):2035-2042.
Bulusu S, X Li, LS Wang, and XC Zeng. 2006. "Evidence of Hollow Golden Cages." Proceedings of the National Academy of Sciences of the United States of America 103(22):8326-8330. doi:10.1073/pnas.0600637103
Bulusu S, S Yoo, E Apra, SS Xantheas, and XC Zeng. 2006. "Lowest-Energy Structures of Water Clusters (H2O)11 and (H2O)13." Journal of Physical Chemistry A 110(42):11781-11784.
Bylaska EJ. 2006. "Estimating the Thermodynamics and Kinetics of Chlorinated Hydrocarbon Degradation." Theoretical Chemistry Accounts 116(1-3):281-296. doi:10.1007/s00214-005-0042-8
Bylaska EJ, K Tsemekhman, and F Gao. 2006. "New Development of Self-Interaction Corrected DFT for Extended Systems Applied to the Calculation of Native Defects in 3C-SiC." Physica Scripta T124:86-90.
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Cai Y, A Zelenyuk, and DG Imre. 2006. "A High Resolution Study of the Effect of Morphology on the Mass Spectra of Single PSL Particles with Na-Containing Layers and Nodules." Aerosol Science and Technology 40(12):1111-1122. doi:10.1080/02786820601001677
Catalano JG, JP McKinley, JM Zachara, SM Heald, SC Smith, and GE Brown JR. 2006. "Changes in Uranium Speciation through a Depth Sequence of Contaminated Hanford Sediments." Environmental Science & Technology 40(8):2517-2524.
Chambers SA. 2006. "Ferromagnetism in Doped Thin-Film Oxide and Nitride Semiconductors and Dielectrics." Surface Science Reports 61(8):345-381. doi:10.1016/j.surfrep.2006.05.001
Chambers SA, T Droubay, CM Wang, KM Rosso, SM Heald, SA Schwartz, KR Kittilstved, and DR Gamelin. 2006. "Ferromagnetism in Oxide Semiconductors ." Materials Today 9(11):28-35.
Chang H, GV Korshin, Z Wang, and JM Zachara. 2006. "Adsorption of Uranyl on Gibbsite: A Time-Resolved Laser-Induced Fluorescence Spectroscopy Study." Environmental Science & Technology 40(4):1244-1249.
Chang TM and LX Dang. 2006. "Recent Advances in Molecular Simulations of Ion Solvation at Liquid Interfaces." Chemical Reviews 106(4):1305-1322. doi:10.1021/cr0403640
Chartier A, JP Crocombette, C Meis, WJ Weber, and LR Corrales. 2006. "Radiation Effects in Lanthanum Pyrozirconate." Nuclear Instruments and Methods in Physics Research Section B, Beam Interactions with Materials and Atoms 250(1-2):17-23. doi:10.1016/j.nimb.2006.04.079
Chen W, G Huang, HB Lu, DE McCready, AG Joly, and JO Bovin. 2006. "Utilizing Nanofabrication to Construct Strong, Luminescent Materials." Nanotechnology 17(10):2595-2601. doi:10.1088/0957-4484/17/10/025
Chen W, J Zhang, SL Westcott, AG Joly, JO Malm, and JO Bovin. 2006. "The Origin of X-Ray Luminescence from CdTe Nanoparticles in CdTe/BaFBr:Eu2+ Nanocomposite Phosphors." Journal of Applied Physics 99(3): Art. No. 034302.
Chen YC, Z Wang, M Yan, and SA Prahl. 2006. "Fluorescence Anisotropy Studies of Molecularly Imprinted Polymers." Luminescence 21(1):7-14.
Corrales LR and R Devanathan. 2006. "Characterization of Energy Conservation in Primary Knock-on Atom Cascades: Ballistic Phase Effects on Variable Time Steps." Nuclear Instruments and Methods in Physics Research Section B, Beam Interactions with Materials and Atoms 250(1-2):6-11. doi:10.1016/j.nimb.2006.04.075
Corrales LR and J Du. 2006. "Characterization of Ion Distributions near the Surface of Sodium-Containing and Sodium-Depleted Calcium Aluminosilicate Glass Melts." Journal of the American Ceramic Society 89(1):36-41. doi:10.1111/j.1551-2916.2005.00695.x
Craig NC, MC Moore, AK Patchen, and RL Sams. 2006. "Analysis of Rotational Structure in the High-Resolution Infrared Spectrum and Assignment of Vibrational Fundamentals of Butadiene-2,3-13C2." Journal of Molecular Spectroscopy 235(2):181-189.
Crocombette JP, A Chartier, and WJ Weber. 2006. "Atomistic Simulation of Amorphization Thermokinetics in Lanthanum Pyrozirconate." Applied Physics Letters 88(5):051912 (3). doi:10.1063/1.2171651
Cui L, X Li, and LS Wang. 2006. "Photoelectron Spectroscopy of AInD-2 (n=3-15): Observation of Chemisorption and Physisorption of Dideuterium on Aluminum Cluster Anions." Journal of Chemical Physics 124(5): Art. No. 054308.
Cui L, X Huang, L Wang, J Li, and LS Wang. 2006. "Pb-12(2-): Plumbaspherene." Journal of Physical Chemistry A 110(34):10169-10172.
Cui L, X Huang, L Wang, DY Zubarev, AI Boldyrev, J Li, and LS Wang. 2006. "Sn12: Stannaspherene." Journal of the American Chemical Society128(26):8390-8391. doi:10.1021/ja062052f
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Dang LX, GK Schenter, VA Glezakou, and JL Fulton. 2006. "Molecular Simulation Analysis and X-Ray Absorption Measurement of Ca2+, K+, and Cl- Ions in Solution." Journal of Physical Chemistry B 110(47):23644-23654.
Dang LX, TM Chang, M Roeselova, BC Garrett, and DJ Tobias. 2006. "On NO3-H2O Interactions in Aqueous Solutions and at Interfaces." Journal of Chemical Physics 124(6): Art. No. 066101. doi:10:1063/1.2171375
Daschbach JL, TM Chang, LR Corrales, LX Dang, and BP McGrail. 2006. "Molecular Mechanisms of Hydrogen Loaded B-Hydroquinone Clathrate." Journal of Physical Chemistry B 110(35):17291-17295. doi:10.1021/jp062691c S1520-6106(06)02691-5
Davis AV, TK Firman, BP Hay, and KN Raymond. 2006. "d-Orbital Effects on Stereochemical Non-Rigidity: Twisted Ti IV Intramolecular Dynamics." Journal of the American Chemical Society 128(29):9484-9496.
Deng Y, M Flury, JB Harsh, AR Felmy, and O Qafoku. 2006. "Cancrinite and Sodalite Formation in the Presence of Cesium, Potassium, Magnesium, Calcium and Strontium in Hanford Tank Waste Simulants." Applied Geochemistry 21(12):2049-2063.
Devanathan R, LR Corrales, F Gao, and WJ Weber. 2006. "Signal Variance in Gamma Ray Detectors - A Review." Nuclear Instruments and Methods in Physics Research. Section A, Accelerators, Spectrometers, Detectors and Associated Equipment 565(2):637-649. doi:10.1016/j.nima.2006.05.085
Devanathan R, WJ Weber, SC Singhal, and JD Gale. 2006. "Computer Simulation of Defects and Oxygen Transport in Yttria-Stabilized Zirconia." Solid State Ionics 177(15-16):1251-1258. doi:10.1016/j.ssi.2006.06.030
Devanathan R, LR Corrales, WJ Weber, A Chartier, and C Meis. 2006. "Atomistic Simulation of Collision Cascades in Zircon." Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 250(1-2):46-49. doi:10.1016/j.nimb.2006.04.109
Devanathan R, LR Corrales, WJ Weber, A Chartier, and C Meis. 2006. "Molecular Dynamics Simulation of Energetic Uranium Recoil Damage in Zircon." Molecular Simulation 32(12-13):1069-1077.
Ding M, JL Conca, CJ Den Auwer, RI Gabitov, NJ Hess, P Paviet-Hartmann, PD Palmer, V LoPresti, and SD Conradson. 2006. "Chemical Speciation of Heterogeneously Reduced Pu in Synthetic Brines." Radiochimica Acta 94(5):249-259.
Disselkamp RS, KM Denslow, TR Hart, and CHF Peden. 2006. "Non-Equilibrium Effects in the Hydrogenation-Mediated Isomerization Mechanism of Olefins during Cavitating Ultrasound Processing." Catalysis Communications 7(6):348–350. doi:10.1016/j.catcom.2005.10.021
Disselkamp RS, RG Tonkyn, YH Chin, and CHF Peden. 2006. "Developing Multiple-Site Kinetic Models in Catalysis Simulation: A Case Study of 02+2N0 ↔ 2 NO2 Oxidation-Reduction Chemistry on Pt(100) Catalyst Crystal Facets." Journal of Catalysis 238(1):1-5. doi:10.1016/j.jcat.2005.11.031
Dohnalek Z, J Kim, and BD Kay. 2006. "Growth of Epitaxial Thin Pd(111) Films on Pt(111) and Oxygen-Terminated FeO(111) Surfaces ." Surface Science 600(17):3461-3471. doi:10.1016/j.susc.2006.06.036
Dohnalek Z, J Kim, OA Bondarchuk, JM White, and BD Kay. 2006. "Physisorption of N2, O2, and CO on Fully Oxidized TiO2(110)." Journal of Physical Chemistry B 110(12):6229-6235. doi:10.1021/jp0564905
Du J and LR Corrales. 2006. "Characterization of the Structural and Electronic Properties of Crystalline Lithium Silicates." Journal of Physical Chemistry B 110:22346-22352. doi:10.1021/jp056879s
Du J and LR Corrales. 2006. "Compositional Dependence of the First Sharp Diffraction Peaks in Alkali Silicate Glasses: A Molecular Dynamics Study." Journal of Non-crystalline Solids 352(30-31):3255-3269. doi:10.1016/j.jnoncrysol.2006.05.025
Du J and LR Corrales. 2006. "Structure, Dynamics, and Electronic Properties of Lithium Disilicate Melt and Glass." Journal of Chemical Physics 125(11):114702/12. doi:10.1063/1.2345060
Du J, R Devanathan, LR Corrales, WJ Weber, and AN Cormack. 2006. "Short- and Medium-Range Structure of Amorphous Zircon from Molecular Dynamics Simulations." Physical Review B, Condensed Matter 74(21): Art. No.:214204. doi:10.1103/PhysRevB.74.214204
Du S, J Francisco, GK Schenter, TD Iordanov, BC Garrett, M Dupuis, and J Li. 2006. "The OH Radical-H2O Molecular Interaction Potential." Journal of Chemical Physics 124:224318 (15). doi:10.1063/1.2200701
DuBois DL, DM Blake, A Miedaner, CJ Curtis, MR DuBois, JA Franz, and JC Linehan. 2006. "Hydride Transfer from Rhodium Complexes to Triethylborane." Organometallics 25(18):4414-4419. doi:10.1021/om060584z
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Egorov OB, MJ O'Hara, and JW Grate. 2006. "Equilibration-Based Preconcentrating Minicolumn Sensors for Trace Level Monitoring of Radionuclides and Metal Ions in Water without Consumable Reagents." Analytical Chemistry 78(15):5480-5490.
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Fanourgakis GS and SS Xantheas. 2006. "The Bend Angle of Water in Ice Ih and Liquid Water: The Significance of Implementing the Nonlinear Monomer Dipole Moment Surface in Classical Interaction Potentials." Journal of Chemical Physics 124(17): Art. No. 174504.
Fanourgakis GS and SS Xantheas. 2006. "The Flexible, Polarizable, Thole-Type Interaction Potential for Water (TTM2-F) Revisited." Journal of Physical Chemistry A 110(11):4100-4106. doi:10.1021/jp056477k
Fanourgakis GS, GK Schenter, and SS Xantheas. 2006. "A Quantitative Account of Quantum Effects in Liquid Water." Journal of Chemical Physics 125(14 ): Art. No. 141102.
Felmy AR, HM Cho, DA Dixon, Y Xia, NJ Hess, and Z Wang. 2006. "The Aqueous Complexation of Thorium with Citrate under Neutral to Basic Conditions." Radiochimica Acta 94(4):205-212. doi:10.1524/ract.2006.94.4.205
Fernandez FM, VH Wysocki, JH Futrell, and J Laskin. 2006. "Protein Identification Via Surface-Induced Dissociation in an FT-ICR Mass Spectrometer and a Patchwork Sequencing Approach." Journal of the American Society for Mass Spectrometry 17(5):700-709.
Filipiak P, DM Camaioni, RW Fessenden, I Carmichael, and GL Hug. 2006. "Reactions of 1-Hydroxy-1-Methylethyl Radicals with NO2-: Time-Resolved Electron Spin Resonance." Journal of Physical Chemistry A 110(38):11046-11052. doi:10.1021/jp062398c
Flaud JM, WJ Lafferty, RL Sams, and SW Sharpe. 2006. "High Resolution Spectroscopy of H212C16O in the 1.9 to 2.56 µSpectral Range." Molecular Physics 104(12):1891-1903.
Fox PM, JA Davis, and JM Zachara. 2006. "The Effect of Calcium on Aqueous Uranium (VI) Speciation and Adsorption to Ferrihydrite and Quartz." Geochimica et Cosmochimica Acta 70(6):1379-1387.
Fu Y, J Laskin, and LS Wang. 2006. "Collision Induced Dissociation of [4Fe-4S] Cubane Cluster Complexes: [Fe4S4C14-x(SC2H5)x]2-/1- (x=0-4)." International Journal of Mass Spectrometry 255-256:102-110. doi:10.1016/j.ijms.2005.12.009
Fulton JL, Y Chen, SM Heald, and M Balasubramanian. 2006. "Hydration and Contact ion Pairing of Ca2+ with Cl- in Supercritical Aqueous Solution." Journal of Chemical Physics 125(9):094507-1 - 094507-10. doi:10.1063/1.2346548
Fulton JL, DW Matson, KH Pecher, JE Amonette, and JC Linehan. 2006. "Metal-Based Nanoparticle Synthesis from the Rapid Expansion of Carbon Dioxide Solutions." Journal of Nanoscience and Nanotechnology 6(2):562-567.
Furuhama A, M Dupuis, and K Hirao. 2006. "Reactions Associated with Ionization in Water: A Direct Ab Initio Dynamics Study of Ionization in (H2O)17." Journal of Chemical Physics 124:164310. doi:10.1063/1.2194904
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Gao F, HL Heinisch, and RJ Kurtz. 2006. "Diffusion of He Interstitials in Grain Boundaries in Alpha-Fe." Journal of Nuclear Materials 351(1-3):133-140. doi:10.1016/j.jnucmat.2006.02.015
Gao F, DJ Bacon, W Lai, and RJ Kurtz. 2006. "Low Energy Sputtering Events at Free Surfaces near Anti-Phase and Grain Boundaries in Ni3Al." Philosophical Magazine. Structure and Properties of Condensed Matter 86(27):4243-4258. doi:10.1080/14786430500409560
Gao F, R Devanathan, T Oda, and WJ Weber. 2006. "Development of Partial-Charge Potential for GaN." Nuclear Instruments and Methods in Physics Research Section B, Beam Interactions with Materials and Atoms 250(1-2):50-53. doi:10.1016/j.nimb.2006.04.082
Gao F, Y Zhang, M Posselt, and WJ Weber. 2006. "Atomic-Level Simulations of Epitaxial Recrystallization and Amorphous-to-Crystalline Transition in 4H-SiC." Physical Review B, Condensed Matter 74(10):104108, 1-9. doi:10.1103/PhysRevB.74.104108
Gao F, R Devanathan, Y Zhang, M Posselt, and WJ Weber. 2006. "Atomic-Level Simulation of Epitaxial Recrystallization and Phase Transformation in SiC." Journal of Materials Research 21(6):1420-1426. doi:10.1557/JMR.2006.0176
Garrett BC, GK Schenter, and A Morita. 2006. "Molecular Dimulations of the Transport of Molecules Across the Liquid/Vapor Interface of Water." Chemical Reviews 106(4):1355-1374.
Gibbs GV, D Jayatilaka, MA Spackman, DF Cox, and KM Rosso. 2006. "Si-O Bonded Interactions in Silicate Crystals and Molecules: A Comparison." Journal of Physical Chemistry A 110(46):12678 (6 pages).
Gibbs GV, MA Spackman, D Jayatilaka, KM Rosso, and DF Cox. 2006. "Bond Length and Local Energy Density Property Connections for Non-Transition- Metal-Oxide-Bonded Interactions." Journal of Physical Chemistry A 110(44):12259-12266. doi:10.1021/jp062992m
Gibbs GV, D Cox, TD Crawford, KM Rosso, N Ross, and RT Downs. 2006. "Classification of Metal-Oxide Bonded Interactions Based on Local Potential- and Kinetic-Energy Densities." Journal of Chemical Physics 124(8): Art. No. 084704. doi:10.1063/1.2161425
Glezakou VA, Y Chen, JL Fulton, GK Schenter, and LX Dang. 2006. "Electronic Structure, Statistical Mechanical Simulations, and EXAFS Spectroscopy of Aqueous Potassium." Theoretical Chemistry Accounts 115(2-3):86-99. doi:10.1007/s00214-005-0054-4
Gorby YA, S Yanina, JS Mclean, KM Rosso, DM Moyles, A Dohnalkova, TJ Beveridge, IS Chang, BH Kim, KS Kim, DE Culley, SB Reed, MF Romine, D Saffarini, EA Hill, L Shi, DA Elias, DW Kennedy, GE Pinchuk, K Watanabe, S Ishii, B Logan, KH Nealson, and JK Fredrickson. 2006. "Electrically Conductive Bacterial Nanowires Produced by Shewanella oneidensis Strain MR-1 and Other Microorganisms." Proceedings of the National Academy of Sciences of the United States of America 103(30):11358-11363.
Gutowski MS and T Autrey. 2006. "Hydrogen Gets Onboard." Chemistry World (March 2006):, doi: http://www.rsc.org/chemistryworld/Issues/2006/March
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Heinisch HL, F Gao, RJ Kurtz, and EA Le. 2006. "Interaction of Helium Atoms with Edge Dislocations in Alpha-Fe." Journal of Nuclear Materials 351(1-3):141-148. doi:10.1016/j.jnucmat.2006.02.027
Henderson MA, JM White, H Uetsuka, and H Onishi. 2006. "Selectivity Changes During Organic Photooxidation on TiO2: Role of O2 Pressure and Organic Coverage." Journal of Catalysis 238(1):153-164. doi:10.1016/j.jcat.2005.12.004
Henry MC and CR Yonker. 2006. "Bronsted Acid Catalyzed Dehydration of Neat Supercritical Tert-Butanol in a Capillary Micro-Reactor." Journal of Supercritical Fluids 37(1):102-106. doi:10.1016/j.supflu.2005.08.006
Henry MC and CR Yonker. 2006. "Supercritical Fluid Chromatography, Pressurized Liquid Extraction and Supercritical Fluid Extraction." Analytical Chemistry 78(12):3909-3915.
Herrera JE, JH Kwak, JZ Hu, Y Wang, and CHF Peden. 2006. "Synthesis of Nanodispersed Oxides of Vanadium, Titanium, Molybdenum, and Tungsten on Mesoporous Silica using Atomic Layer Deposition." Topics in Catalysis39(3-4):245-255. doi:10.1007/s11244-006-0063-0
Herrera JE, JH Kwak, JZ Hu, Y Wang, CHF Peden, J Macht, and E Iglesia. 2006. "Synthesis, Characterization, and Catalytic Function of Novel Highly Dispersed Tungsten Oxide Catalysts on Mesoporous Silica." Journal of Catalysis 239(1):200-211.
Hofft O, A Borodin, U Kahnert, V Kempter, LX Dang, and P Jungwirth. 2006. "Surface Segregation of Dissolved Salt Ions." Journal of Physical Chemistry B 110(24):11971-11976. doi:10.1021/jp061437h
Hrma PR, JD Vienna, BK Wilson, TJ Plaisted, and SM Heald. 2006. "Chromium Phase Behavior in a Multi-Component Borosilicate Glass Melt." Journal of Non-crystalline Solids 352(21-22):2114-2122.
Hua B, B Deng, EC Thornton, J Yang, and JE Amonette. 2006. "Incorporation of Chromate into Calcium Carbonate Structure During Coprecipitation." Water, Air, and Soil Pollution 179(1-4):381-390. doi:10.1007/s11270-006-9242-7
Huang X, HJ Zhai, J Li, and LS Wang. 2006. "On the Structure and Chemical Bonding of Tri-Tungsten Oxide Clusters W3On- and W3On (n=7-10): W3O8 As A Potential Molecular Model for O-Deficient Defect Sits in Tungsten Oxides." Journal of Physical Chemistry A 110(1):85-92. doi:10.1021/jp055325m
Huang X, HJ Zhai, T Waters, J Li, and LS Wang. 2006. "Experimental and Theoretical Characterization of Superoxide Complexes [W2O602-] and [W3O9-O2-]: Models for the Interaction of O2 with Reduced W Sites on Tungsten Oxide Surfaces." Angewandte Chemie International Edition 45(4):657-660. doi:10.1002/anie.200503652
Huo Q, J Liu, LQ Wang, Y Jiang, TN Lambert, and E Fang. 2006. "A New Class of Silica Crosslinked Micellar Core-Shell/Nanoparticles." Journal of the American Chemical Society 128(19):6447-6453. doi:10.1021/ja060367p
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Ilton ES, SM Heald, SC Smith, D Elbert, and C Liu. 2006. "Reduction of Uranyl in the Interlayer Region of Low Iron Micas Under Anoxic and Aerobic Conditions." Environmental Science & Technology 40(16):5003-5009.
Ilton ES, C Liu, W Yantasee, Z Wang, DA Moore, AR Felmy, and JM Zachara. 2006. "The Dissolution of Synthetic Na-Boltwoodite in Sodium Carbonate Solutions." Geochimica et Cosmochimica Acta 70(19):4836-4849. doi:10.1016/j.gca.2006.06.1553
Iordanov TD, GK Schenter, and BC Garrett. 2006. "Sensitivity Analysis of Thermodynamic Properties of Liquid Water: A General Approach to Improve Empirical Potentials." Journal of Physical Chemistry A 110(2):762-771.
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Jaffe JE. 2006. "Computational Study of Ge and Sn Doping of CdTe." Journal of Applied Physics 99(3):033704. doi:10.1063/1.2168237
Jiang H, L Rao, Z Zhang, and D Rai. 2006. "Characterization and Oxidation of Chromium(III) by Sodium Hypochlorite in Alkaline Solutions." Inorganica Chimica Acta 359(10):3237-3242.
Jiang W and WJ Weber. 2006. "Effect of Irradiation Temperature on Dynamic Recovery in Gallium Nitride." Nuclear Instruments and Methods in Physics Research Section B, Beam Interactions with Materials and Atoms 242(1-2):431-433.
Jiang W, Y Zhang, V Shutthanandan, S Thevuthasan, and WJ Weber. 2006. "Temperature Response of 13C Atoms in Amorphized 6H-SiC." Applied Physics Letters 89(26): Art. No.:261902. doi:10.1063/1.2422892
Jiang W, Y Zhang, WJ Weber, J Lian, and RC Ewing. 2006. "Direct Evidence of N Aggregation and Diffusion in Au+ Irradiated GaN." Applied Physics Letters 89(2):021903-1−021903-3.
Jiang W, V Shutthanandan, Y Zhang, S Thevuthasan, WJ Weber, and GJ Exarhos. 2006. "Hydrogen Behavior in Mg+-Implanted Graphite." Journal of Materials Research 21(4):811-815. doi:10.1557/JMR.2006.0121
Jiang W, WJ Weber, JS Young, LA Boatner, J Lian, L Wang, and RC Ewing. 2006. "Irradiation-Induced Nanostructures in Cadmium Niobate Pyrochlores." Nuclear Instruments and Methods in Physics Research Section B, Beam Interactions with Materials and Atoms 250(1-2):188-191.
Johnson TJ, T Masiello, and SW Sharpe. 2006. "The Quantitative Infrared and NIR Spectrum of CH2I2 Vapor: Vibrational Assignments and Potential for Atmospheric Monitoring." Atmospheric Chemistry and Physics 6(9):2581-2591.
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Wang Z, X Zu, F Gao, and WJ Weber. 2006. "Atomic-Level Study of Melting Behavior of GaN Nanotubes." Journal of Applied Physics 100(06):063503, 1-6. doi:10.1063/1.2345616
Wang Z, AR Felmy, Y Xia, and EC Buck. 2006. "Observation of Aqueous Cm(III)/Eu(III) and UO22+ Nanoparticulates at Concentrations Approaching Solubility Limit by Laser-Induced Fluorescence Spectroscopy." Journal of Alloys and Compounds 418(1-2):166-170.
Wang Z, X Zu, F Gao, and WJ Weber. 2006. "Atomistic Simulation of Brittle to Ductile Transition in GaN Nanotubes." Applied Physics Letters 89(24):243123, 1-3. doi:10.1063/1.2405879
Waters T, H Woo, XB Wang, and LS Wang. 2006. "Probing the Intrinsic Electronic Structure of the Bis(dithiolene) Anions [M(mnt)2]2- and [M(mnt)2]1- (M=Ni, Pd, Pt; mnt=1,2-S2C2(CN)2) in the Gas Phase By Photoelectron Spectroscopy." Journal of the American Chemical Society 128(13):4282-4291. doi:10.1021/ja056342s
Wellman DM, SV Mattigod, KE Parker, SM Heald, CM Wang, and GE Fryxell. 2006. "Synthesis of Organically Templated Nanoporous Tin (II/IV) Phosphate for Radionuclide and Metal Sequestration." Inorganic Chemistry 45(6):2382-2384. doi:10.1021/ic051949v
Wendt K, K Blaum, C Geppert, P Muller, W Nortershauser, A Schmitt, P Schumann, N Trautmann, and BA Bushaw. 2006. "Laser-Based Techniques for Ultra Trace Isotope Production, Spectroscopy and Detection." Hyperfine Interactions 162(1-4):147-157. doi:10.1007/s10751-005-9219-8
Wick CD and LX Dang. 2006. "Computational Observation of Enhanced Solvation of the Hydroxyl Radical with Increased NaCl Concentration." Journal of Physical Chemistry B 110(18):8917-8920. doi:10.1021/jp061221f
Wick CD and LX Dang. 2006. "Distribution, Structure, and Dynamics of Cesium and Iodide ions at the H2O-CCl4 and H2O-Vapor Interfaces." Journal of Physical Chemistry B 110(13):6824-6831. doi:10.1021/jp055427c
Wick CD and GK Schenter. 2006. "Critical Comparison of Classical and Quantum Mechanical Treatments of the Phase Equilibria of Water." Journal of Chemical Physics 124:114505. doi:10.1063/1.2178322
Wick CD, LX Dang, and P Jungwirth. 2006. "Simulated Surface Potentials at the Vapor-Water Interface for the KCl Aqueous Electrolyte Solution." Journal of Chemical Physics 125(2):NIL_312-NIL_315. doi:10.1063/1.2218840
Wiss TA, JP Hiernaut, P Damen, S Lutique, R Fromknecht, and WJ Weber. 2006. "Helium Behaviour in Waste Conditioning Matrices During Thermal Annealing." Journal of Nuclear Materials 352(1-3):202-208. doi:10.1016/j.jnucmat.2006.02.055
Woo H, KC Lau, XB Wang, and LS Wang. 2006. "Observation of Cysteine Thiolate and -S...H-O Intermolecular Hydrogen Bond." Journal of Physical Chemistry A 110(46):12603-12606.
Woo H, XB Wang, KC Lau, and LS Wang. 2006. "Low-Temperature Photoelectron Spectroscopy of Aliphatic Dicarboxylate Monoanions, HO2C(CH2)nCO2-(n=1-10): Hydrogen Bond Induced Cyclization and Strain Energies." Journal of Physical Chemistry A 110(25):7801-7805. doi:10.1021/jp0616009
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Xia Y, NJ Hess, and AR Felmy. 2006. "Stability Constants of Technetium (IV) Oxalate Complexes as a Function of Ionic Strength." Radiochimica Acta 94(3):137-141. doi:10.1524/ract.2006.94.3.137
Xia Y, JI Friese, DA Moore, and L Rao. 2006. "Stability Constants of Np(V) Complexes with Fluoride and Sulfate at Variable Temperatures." Journal of Radioanalytical and Nuclear Chemistry 268(3):445-451.
Xiao HY, X Zu, Y Zhang, and F Gao. 2006. "Adsorption of Alkali Metals on Ge(001)(2×1) Surface." Chemical Physics Letters 417(1-3):6-10. doi:10.1016/j.cplett.2005.09.103
Xiao HY, X Zu, Y Zhang, and F Gao. 2006. "Atomic and Electronic Structures of Rubidium Adsorption on Si(001)(2 x 1) Surface: Comparison with Cs/Si(001) Surface." Chemical Physics 323(2-3):383–390. doi:10.1016/j.chemphys.2005.10.003
Xiong G, AG Joly, KM Beck, and WP Hess. 2006. "Laser-Induced Oxygen Vacancy Formation and Diffusion on TiO2(110) Surfaces Probed by Photoemission Electron Microscopy." Physica Status Solidi C 3(10):3598-3602.
Xiong G, AG Joly, WP Hess, M Cai, and JT Dickinson. 2006. "Introduction to Photoelectron Emission Microscopy: Principles and Applications." Journal of Chinese Electron Microscopy Society 25(1):15-25.
Xiong G, AG Joly, KM Beck, WP Hess, M Cai, SC Langford, and JT Dickinson. 2006. "In Situ Photoelectron Emission Microscopy of a Thermally Induced Martensitic Transformation in a CuZnAI Shape Memory Alloy." Applied Physics Letters 88(9): Art. No. 091910.
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Yang Y, RS Disselkamp, J Szanyi, CHF Peden, CT Campbell, and JG Goodwin Jr. 2006. "Design and Operating Characteristics of a Transient Kinetic Analysis Catalysis Reactor System Employing In Situ Transmission Fourier Transform Infrared." Review of Scientific Instruments 77(9): Art. No. 094104.
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Zelenyuk A, DG Imre, and LA Cuadra-Rodriguez. 2006. "Evaporation of Water from Particles in the Aerodynamic Lens Inlet: An Experimental Study." Analytical Chemistry 78(19):6942-6947.
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Zhai HJ and LS Wang. 2006. "Probing the Electronic Properties of Dichromium Oxide Clusters Cr2On-(n=1-7) Using Photoelectron Spectroscopy." Journal of Chemical Physics 125(16):Art. No. 164315.
Zhai HJ, LS Wang, DY Zubarev, and AI Boldyrev. 2006. "Gold Apes Hydrogen: The Structure and Bonding in the Planar B7Au2- and B7Au2 Clusters." Journal of Physical Chemistry A 110(5):1689-1693.
Zhang Y, CM Wang, MH Engelhard, and WJ Weber. 2006. "Irradiation Behavior of SrTiO3 at Temperatures Close to the Critical Temperature for Amorphization." Journal of Applied Physics 100(11):113533. doi:10.1063/1.2399932
Zhang Y, WJ Weber, A Razpet, and Gö Possnert. 2006. "Electronic Stopping Powers for Be, Ca and Ti in SiC." Nuclear Instruments and Methods in Physics Research Section B, Beam Interactions with Materials and Atoms 242(1-2):82-84.
Zhang Y, WJ Weber, V Shutthanandan, and S Thevuthasan. 2006. "Non-Linear Damage Accumulation in Au-Irradiated SrTiO3." Nuclear Instruments and Methods in Physics Research Section B, Beam Interactions with Materials and Atoms 251(1):127-132. doi:10.1016/j.nimb.2006.05.018
Zhang Y, WJ Weber, DA Grove, J Jensen, and G Possnert. 2006. "Electronic Stopping Powers for Heavy Ions in Niobium and Tantalum Pentoxides." Nuclear Instruments and Methods in Physics Research Section B, Beam Interactions with Materials and Atoms 250(1-2):62-65. doi:10.1016/j.nimb.2006.04.148
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Zhang Z, O Bondarchuk, BD Kay, JM White, and Z Dohnalek. 2006. "Imaging Water Dissociation on TiO2(110): Evidence for Inequivalent Geminate OH Groups." Journal of Physical Chemistry B 110(43):21840-21845. doi:10.1021/jp063619h
Zhang Z, O Bondarchuk, JM White, BD Kay, and Z Dohnalek. 2006. "Imaging Adsorbate O-H Bond Cleavage: Methanol on TiO2(110)." Journal of the American Chemical Society 128(13):4198-4199. doi:10.1021/ja058466a
Zhao H, RG Tonkyn, SE Barlow, BE Koel, and CHF Peden. 2006. "Catalytic Oxidation of HCN Over a 0.5% Pt/Al2O3 Catalyst." Applied Catalysis B, Environmental 65(2006):282-290. doi:10.1016/j.apcatb.2006.02.009
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Zhao H, JH Kwak, Y Wang, JA Franz, JM White, and JE Holladay. 2006. "Effects of Crystallinity on Dilute Acid Hydrolysis of Cellulose by Cellulose Ball-Milling Study." Energy and Fuels (20):807-811.
Zheng F, DL Baldwin, LS Fifield, NC Anheier, JR, CL Aardahl, and JW Grate. 2006. "Single-Walled Carbon Nanotube Paper as a Sorbent for Organic Vapor Preconcentration." Analytical Chemistry 78(7):2442-2446.
Zubarev DY, AI Boldyrev, X Li, and LS Wang. 2006. "Observation of Triatomic Species with Conflicting Aromaticity: A1Si2- and A1Ge2-." Journal of Physical Chemistry B 110(20):9743-9746. doi:10.1021/jp060690e
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Zubarev DY, AN Alexandrova, AI Boldyrev, L Cui, X Li, and LS Wang. 2006. "On the Structure and Chemical Bonding of Si62- and Si62- in NaSi6- Upon Na+ Coordination." Journal of Chemical Physics 124(12): Art. No. 124305. doi:10.1063/1.2177254