EMSL Monthly Report: January/February 2004
Research Highlights | Awards & Recognition | Professional/Community Service | Facility Upgrades | News Coverage | Visitors & Users | Publications | Presentations
Publications
The following list represents publications by EMSL staff members, and from users where the publication resulted from research carried out at EMSL.
Andrews L, B Liang, J Li, and BE Bursten. 2003. "Noble Gas--Actinide Complexes of the CUO Molecule with Multiple Ar, Kr, and Xe Atoms in Noble-Gas Matrices." Journal of the American Chemical Society 125(10):3126-3139.
Beck KM, AG Joly, NF Dupuis, P Perozzo, WP Hess, PV Sushko, and AL Shluger. 2004. "Laser Control of Product Electronic State: Desorption From Alkali Halides." Journal of Chemical Physics 120(5):2456-2463.
Bowman MK, EA Berry, AG Roberts, and DM Kramer. 2004. "Orientation of the g-Tensor Axes of the Rieske Subunit in the Cytochrome bc1 Complex." Biochemistry 43(2):430-436.
Chen W, AG Joly, JO Malm, and JO Bovin. 2004. "Upconversion Luminescence of Eu3+ and Mn2+ in ZnS:Mn2+, Eu3+ Codoped Nanoparticles." Journal of Applied Physics 95(2):667-672.
Daschbach JL, BM Peden, RS Smith, and BD Kay. 2004. "Adsorption, Desorption, and Clustering of H2O on Pt(111)." Journal of Chemical Physics 120(3):1516-1523.
Disselkamp RS, KM Judd, TR Hart, CHF Peden, GJ Posakony, and LJ Bond. 2004. "A Comparison Between Conventional and Ultrasound-Mediated Heterogeneous Catalysis: Hydrogenation of 3-buten-1-ol Aqueous Solutions." Journal of Catalysis 221(2):347-353.
Donley MS, RA Mantz, AN Khramov, V Balbyshev, LS Kasten, and DJ Gaspar. 2003. "The Self-Assembled Nanophase Particle (SNAP) Process: A Nanoscience Approach to Coatings." Progress in Organic Coatings 47(3-4):401-415.
Edge LF, DG Schlom, SA Chambers, E Cicerrella, JL Freeouf, B Hollander, and J Schubert. 2004. "Measurement of the Band Offsets Between Amorphous LaAlO3 and Silicon." Applied Physics Letters 84(5):726-728.
Foster NS, SE Thompson, NB Valentine, JE Amonette, and TJ Johnson. 2004. "Identification of Sporulated and Vegetative Bacteria using Statistical Analysis of Fourier Transform Mid-Infrared Transmission Data." Applied Spectroscopy 58(2):203-211.
Hirata S, T Yanai, WA de Jong, T Nakajima, and K Hirao. 2004. "Third-Order Douglas-Kroll Relativistic Coupled-Cluster Theory Through Connected Single, Double, Triple, and Quadruple Substitutions: Applications to Diatomic and Triatomic Hydrides." Journal of Chemical Physics 120(7):3297-3310.
Hunger S, H Cho, JT Sims, and DL Sparks. 2004. "Direct Speciation of Phosphorus in Alum-Amended Poultry Litter: Solid-State 31P NMR Investigation." Environmental Science and Technology 38(3):674-681.
Ivanov I and M Klein. 2004. "First Principles Computational Study of the Active Site of Arginase." Proteins: Structure, Function, and Bioinformatics 54(1):1-7.
Kariuki NN, J Luo, L Han, MM Maye, L Moussa, M Patterson, Y Lin, MH Engelhard, and C Zhong. 2004. "Nanoparticle-Structured Ligand Framework as Electrode Interfaces." Electroanalysis 16(1-2):120-126.
Laskin J, KM Beck, JJ Hache, and JH Futrell. 2004. "Surface-Induced Dissociation of Ions Produced by Matrix-Assisted Laser Desorption/Ionization in a Fourier Transform Ion Cyclotron Resonance Mass Spectrometer." Analytical Chemistry 76(2):351-356.
Laskin J and JH Futrell. 2003. "Surface-Induced Dissociation of Peptide Ions: Kinetics and Dynamics." Journal of the American Society for Mass Spectrometry 14(12):1340-1347.
Liang B, LS Andrews, J Li, and BE Bursten. 2003. "Bonding of Multiple Noble-Gas Atoms to CUO in Solid Neon: CUO(Ng)n (Ng = Ar, Kr, Xe; n = 1, 2, 3, 4) Complexes and the Singlet-Triplet Crossover Point." Chemistry - a European Journal 9(19):4781-4788.
Liang B, LS Andrews, J Li, and BE Bursten. 2004. "On the Noble-Gas Induced Intersystem Crossing for the CUO Molecule: Experimental and Theoretical Investigations of CUO(Ng)n (Ng = Ar, Kr, Xe; n = 1, 2, 3, 4) Complexes in Solid Neon." Inorganic Chemistry 43(3):882-894.
Liu C, JM Zachara, and SC Smith. 2004. "A Cation Exchange Model to Describe Cs+ Sorption at High Ionic Strength in Subsurface Sediments at Hanford Site, USA." Journal of Contaminant Hydrology 68(3-4): 217-238.
Masiello T, J Barber, ETH Chrysostom, JW Nibler, A Maki, A Weber, TA Blake, and RL Sams. 2004. "Analysis of High-Resolution Infrared and CARS Spectra of 34S18O3." Journal of Molecular Spectroscopy 223(1):84-95.
McCready DE, SV Mattigod, JS Young, and BP McGrail. 2004. "X-Ray Powder Diffraction Data for Na8(AlSiO4)6(ReO4)2." In Advances in X-Ray Analysis, vol. 47, Advances in X-Ray Analysis, San Jose, California.
McKinley JP, JM Zachara, SM Heald, A Dohnalkova, MG Newville, and SR Sutton. 2004. "Microscale Distribution of Cesium Sorbed to Biotite and Muscovite." Environmental Science and Technology 38(4):1017-1023.
Miehr R, PG Tratnyek, JZ Bandstra, MM Scherer, MJ Alowitz, and EJ Bylaska. 2004. "Diversity of Contaminant Reduction Reactions by Zero-Valent Iron: Role of the Reductate." Environmental Science and Technology 38(1):139-147.
Oostrom M, PD Thorne, MD White, MJ Truex, and TW Wietsma. 2003. "Numerical Modeling to Assess DNAPL Movement and Removal at the Scenic Site Operable Unit Near Baton Rouge, Louisiana: A Case Study." Soil & Sediment Contamination 12(6):901926.
Posselt M, F Gao, WJ Weber, and V Belko. 2004. "A Comparative Study of the Structure and Energetics of Elementary Defects in 3C- and 4H-SiC." Journal of Physics: Condensed Matter 16(8):1307-1323.
Saraf LV, JS Young, AS Lea, S Thevuthasan, GC Dunham, JW Grate, and DR Baer. 2004. "Lateral Ordering of Microfabricated SiO2 Nanotips." Electrochemical and Solid-State Letters 7(1):C7-C9.
Studham RS. 2004. "Rekindle the Fire: Building Supercomputers to Solve Dynamic Problems." Scientific Computing & Instrumentation Online, February 2004 (http://www.scimag.com/scripts/CurrentIssueArchive.asp).
Tan X, P Nalbant, A Toutchkine, D Hu, ER Vorpagel, KM Hahn, and HP Lu. 2004. "Single-Molecule Study of Protein-Protein Interaction Dynamics in a Cell Signaling System." Journal of Physical Chemistry B 108(2):737-744.
Wang LQ, KF Ferris, S Azad, MH Engelhard, and CHF Peden. 2004. "Adsorption and Reaction of Acetaldehyde on Stoichiometric and Defective SrTiO3(100) Surfaces." Journal of Physical Chemistry B 108(5):1646-1652.
Weber WJ, F Gao, R Devanathan, W Jiang, and CM Wang. 2004. "Ion-Beam Induced Defects and Nanoscale Amorphous Clusters in Silicon Carbide." Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 216:25-35.
Williford RE, DR Baer, JE Amonette, and AS Lea. 2004. "Dissolution and Growth of (1014) Calcite in Flowing Water: Estimation of Back Reaction Rates via Kinetic Monte Carlo Simulations." Journal of Crystal Growth 262(1-4):503-518.
Xantheas SS and E Apra. 2004. "The Binding Energies of the D2d and S4 Water Octamer Isomers: High-Level Electronic Structure and Empirical Potential Results." Journal of Chemical Physics 120(2):823-828.
Yang X, YJ Fu, XB Wang, P Slavicek, M Mucha, P Jungwirth, and LS Wang. 2004. "Solvent-Mediated Folding of a Doubly Charged Anion." Journal of the American Chemical Society 126(3):876-883.
Zhang Y, WJ Weber, and HJ Whitlow. 2004. "Electronic Stopping Powers for Heavy Ions in Silicon." Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 215(1-2):48-56.
Research Highlights | Awards & Recognition | Professional/Community Service | Facility Upgrades | News Coverage | Visitors & Users | Publications | Presentations