Chemistry Division ANL
  Home What's New Contacts Site Map Links

Research Areas Staff Publications Seminars Conferences Fermi Scholar Intranet (Internal Only)

 

Publications

JANUARY 2004

REACTION RATES OF THE HYDRATED ELECTRON WITH N2O IN
HIGH TEMPERATURE WATER AND POTENTIAL SURFACE OF THE
N2O- ANION
K. Takahashi, S. Ohgami, Y. Koyama, S. Sawamura, T. W. Marin,
D. M. Bartels, and C. D. Jonah
Chem. Phys. Lett. 383 (5-6), 445-450 (2004)

GEMINATE RECOMBINATION OF HYDROXYL RADICALS
GENERATED IN 200 nm PHOTODISSOCIATION OF AQUEOUS
HYDROGEN PEROXIDE
R. A. Crowell, R. Lian, M. C. Sauer, Jr., D. A. Oulianov, and I. A. Shkrob
Chem. Phys. Lett. 383 (5-6), 481-485 (2004)

ULTRAFAST STUDIES ON THE PHOTOPHYSICS OF MATRIX-ISOLATED
RADICAL CATIONS OF POLYCYCLIC AROMATIC HYDROCARBONS
L. Zhao, R. Lian, I. A. Shkrob, R. A. Crowell, S. Pommeret, E. L. Chronister,
A. D. Liu, and A. D. Trifunac
J. Phys. Chem. A 108 (1), 25-31 (2004)

NEW RATE CONSTANTS FOR D + H2 AND H + D2 BETWEEN ~1150
AND 2100 K
J. V. Michael, M.-C. Su, and J. W. Sutherland
J. Phys. Chem. A 108 (3), 432-437 (2004)

TWO-PHOTON DECAY IN HEAVY ATOMS AND IONS
P. H. Mokler and R. W. Dunford
Physica Scripta 69, C1-9 (2004)

A CORRECTION TO THE POTLIB LIBRARY DESCRIBED IN "POTLIB
2001: A POTENTIAL ENERGY SURFACE LIBRARY FOR CHEMICAL
SYSTEMS
R. J. Duchovic, Y. L. Volobuev, G. C. Lynch, D. G. Truhlar, T. C. Alllison,
A. F. Wagner, B. C. Garrett, and J. C. Corchado
Computer Physics Comm. 156 (3), 319-322 (2004)

EXAFS INVESTIGATIONS OF STRONTIUM COMPLEXATION BY
A POLYMER-SUPPORTED CROWN ETHER
M. L. Dietz and M. P. Jensen
Talanta 62 (1), 109-113 (2004)

QUANTUM WAVE PACKET AND QUASICLASSICAL TRAJECTORY
STUDIES OF OH+CO: INFLUENCE OF THE REACTANT CHANNEL
WELL ON THERMAL RATE CONSTANTS
D. M. Medvedev, S. K. Gray, E. M. Goldfield, M. J. Lakin, D. Troya,
and G. C. Schatz
J. Chem. Phys. 120 (3), 1231-1238 (2004)

AN INVESTIGATION OF ESTER GROUP STERIC EFFECTS ON METAL
ION EXTRACTION BY SYMMETRICALLY SUBSTITUTED
METHYLENEDIPHOSPHONIC ACIDS
D. C. Stepinski, D. R. McAlilster, P. R. Zalupski, R. Chiarizia, and
A. W. Herlinger
Solvent Extr. and Ion Exchange 22 (1), 89-103 (2004)

RADIOANALYTICAL TECHNIQUES AND THE CHARACTERIZATION OF
NEW SEPARATION REAGENTS
K. L. Nash, R. Chiarizia, M. Borkowski, P. G. Rickert, and E. O. Otu
Radioanalytical Methods at the Frontier of Interdisciplinary Research,
Fundamentals in Cutting-Edge Applications, ACS Symposium Series 868,
C. A. Laue and K. L. Nash, Eds., American Chemical Society, Washington,
DC, 2004, pp 140-160

FEBRUARY 2004

STRONGLY CLUSTER SIZE DEPENDENT REACTION BEHAVIOR OF
CO WITH O2 ON FREE SILVER CLUSTER ANIONS
L. D. Socaciu, J.Hagen, J. Le Roux, D. Popolan, T. M. Bernhardt,
L. Wöste, and S. Vajda
J. Chem. Phys. 120 (5), 2078-2081 (2004)

MODE DEPENDENT VIBRATIONAL AUTOIONIZATION OF RYDBERG
STATES OF NO2. II. COMPARING THE SYMMETRIC STRETCHING
AND BENDING VIBRATIONS
P. Bell, F. Aguirre, E. R. Grant, and S. T. Pratt
J. Chem. Phys. 120 (6), 2667-2676 (2004)

ENDOR OF SPIN-CORRELATED RADICAL PAIRS IN PHOTOSYNTHESIS
AT HIGH MAGNETIC FIELD: A TOOL FOR MAPPING ELECTRON
TRANSFER PATHWAYS
O. G. Poluektov, L. M. Utschig, A. A. Dubinskij, and M. C. Thurnauer
J. Am. Chem. Soc. Comm. 126 (6), 1644-1645 (2004)

SYNTHESIS OF SYMMETRICAL METHYLENEBIS(ALKYL HYDROGEN
PHOSPHONATES) BY SELECTIVE CLEAVAGE OF METHYLENEBIS
(DIALKYL PHOSPHONATES) WITH MORPHOLINE
G. V. Reddy, H. K. Jacobs, A. S. Gopalan, R. E. Barrans, Jr., M. L. Dietz,
D. C. Stepinski, and A. W. Herlinger
Synthetic Comm. 34, 331-344 (2004)

HYDROTHERMAL SYNTHESIS, STRUCTURE, AND MAGNETIC
PROPERTIES OF THE MIXED-VALENT Np(IV)/Np(V) SELENITE
Np(NpO2)2(SeO3)3
P. M. Almond, R. E. Sykora, S. Skanthakumar, L. Soderholm, and
T. E. Albrecht-Schmitt
Inorg. Chem. 43 (3), 958-963 (2004)

RADICAL IONS IN LIQUIDS
I. A. Shkrob and M. C. Sauer, Jr.
In Charged Particle and Photon Interactions with Matter. Chemical,
Physicochemical, and Biological Consequences with Applications,
Y. Hatano
and A. Mozumder, Eds., Marcel Dekker, New York, Ch. 11, 2004, pp. 301-331

LIFETIME OF THE 23P0 STATE OF He-LIKE 197Au
S. Toleikis, B. Manil, E. Berdermann, H. F. Beyer, F. Bosch, M. Czanta,
R. W. Dunford, A. Cumberidze, P. Indelicato, C. Kozhuharov, D. Liesen, X. Ma,
R. Marrus, P. H. Mokler, D. Schneider, A. Simionovici, Z. Stachura,
T. Stöhlker, A. Warczak and Y. Zou
Phys. Rev. A 69, 022507-1/022507-5 (2004)

MARCH 2004

STRUCTURAL STUDIES OF THE MANGANESE STABILIZING SUBUNIT
IN PHOTOSYSTEM II
B. Svensson, D. M. Tiede, D. R. Nelson, and B. A. Barry
Biophys. J. 86, 1807-1812 (2004)

TEMPERATURE AND LIGHT-INDUCED STRUCTURAL CHANGES IN
PHOTOSYNTHETIC REACTION CENTER PROTEINS PROBED BY
X-RAY ABSORPTION FINE STRUCTURE
L. X. Chen, L. M. Utschig, S. L. Schlesselman, and D. M. Tiede
J. Phys. Chem. B 108 (12), 3912-3924 (2004)

EXCIPLEX FORMATION OF COPPER(II) OCTAETHYLPORPHYRIN
REVEALED BY PULSED X-RAYS
L. X. Chen, G. B. Shaw, T. Liu, G. Jennings, and K. Attenkofer
Chem. Phys. 299 (2-3), 215-223 (2004)

ONE MILLION YEAR OLD GROUNDWATER IN THE SAHARA
REVEALED BY KRYPTON-81 AND CHLORINE-36
N. C. Sturchio, X. Du, R. Purtschert, B. E. Lehmann, M. Sultan,
L. J. Patterson, Z.-T. Lu, P. Müller, T. Bigler, K. Bailey, T. P. O'Connor,
L. Young, R. Lorenzo, R. Becker, Z. El Alfy, B. El Kaliouby,
Y. Dawood, and A. M. A. Abdallah
Geophys. Res. Lett. 31, L05503 (2004)

THERMORESPONSIVE NANOSTRUCTURES BY SELF-ASSEMBLY
OF A POLY(N-ISOPROPYLACRYLAMIDE) - LIPID CONJUGATE
D. N. T. Hay, P. G. Rickert, S. Seifert, and M. A. Firestone
J. Am. Chem. Soc., Commun. 126 (8), 2290-2291 (2004)

NEPTUNIUM INCORPORATION INTO URANYL COMPOUNDS
THAT FORM AS ALTERATION PRODUCTS OF SPENT NUCLEAR
FUEL: IMPLICATIONS FOR GEOLOGIC REPOSITORY PERFORMANCE
P. C. Burns, K. M. Deely, and S. Skanthakumar
Radiochim. Acta 92 (3), 151-159 (2004)

APRIL 2004

STRUCTURE OF THE UO22+-SO42- ION PAIR IN AQUEOUS SOLUTION
J. Neuefeind, S. Skanthakumar, and L. Soderholm
Inorg. Chem. 43 (7), 2422-2426 (2004)

ISOLATION OF INTERMEDIATE-VALENT Ce(III)/Ce(IV) HYDROLYSIS
PRODUCTS IN THE PREPARATION OF CERIUM IODATES: ELECTRONIC
AND STRUCTURAL ASPECTS OF Ce2(IO3)6(OHx) (x = 0 AND 0.44)
R. E. Sykora, L. Deakin, A. Mar, S. Skanthakumar, L. Soderholm, and
T. E. Albrecht-Schmitt
Chem. Mater. 16 (7), 1343-1349 (2004)

SYNTHESIS, STRUCTURES, MAGNETIC PROPERTIES, AND X-RAY
ABSORPTION SPECTRA OF CARNOTITE-TYPE URANYL
CHROMIUM(V) OXIDES: A[(UO2)2Cr2O8](H2O)n (A = K2, Rb2,
Cs2, Mg; n = 0,4)
A. J. Locock, S. Skanthakumar, P. C. Burns, and L. Soderholm
Chem. Mater. 16 (7), 1384-1390 (2004)

A UNIQUE COORDINATION ENVIRONMENT FOR AN ION:
EXAFS STUDIES AND BOND VALENCE MODEL APPROACH OF
THE ENCAPSULATED CATION IN THE PREYSSLER ANION
M-H. Chiang, M. R. Antonio, C. W. Williams, and L. Soderholm
Dalton Trans. 5, 801-806 (2004)

IMPROVING THE ACCURACY OF INTERPOLATED POTENTIAL
ENERGY SURFACES BY USING AN ANALYTICAL ZEROTH-ORDER
POTENTIAL FUNCTION
A. Kawano, Y. Guo, D. L. Thompson, A. F. Wagner, and M. Minkoff
J. Chem. Phys. 120 (14), 6414-6422 (2004)

EVALUATION OF SILICA-COATED TUBING FOR THE
MEASUREMENT OF HYDROGEN PEROXIDE IN HOT WATER
T. W. Marin, D. M. Bartels, and C. D. Jonah
Ind. Eng. Chem. Res. 43 (8), 1888-1889 (2004)

COUNTING INDIVIDUAL 41Ca ATOMS WITH A MAGNETO-OPTICAL
TRAP
I. D. Moore, K. Bailey, J. Greene, Z.-T. Lu, P. Müller, T. P. O'Connor,
Ch. Geppert, K. D. A. Wendt, and L. Young
Phys. Rev. Lett. 92 (15), 153002-1/153002-4 (2004)

EXPERIMENTAL COORDINATION ENVIRONMENT OF URANYL(VI)
IIN AQUEOUS SOLUTION
J. Neuefeind, L. Soderholm, and S. Skanthakumar
J. Phys. Chem. A 108 (14), 2733-2729 (2004)

SPECIATION OF C6H6 ISOMERS BY GAS CHROMATOGRAPHY-MATRIX
ISOLATION FOURIER TRANSFORM INFRARED SPECTROSCOPY-MASS
SPECTROSCOPY
K. B. Anderson, R. S. Tranter, W. Tang, K. Brezinsky, and L. B. Harding
J. Phys. Chem. A 108 (16), 3403-3405 (2004)

ANALYTIC EVALUATION OF NONADIABATIC COUPLING TERMS AT
THE MR-CI LEVEL. I. FORMALISM
H. Lischka, M. Dallos, P. G. Szalay, D. R. Yarkony, and R. Shepard
J. Chem. Phys. 120 (16), 7322-7329 (2004)

ANALYTIC EVALUATION OF NONADIABATIC COUPLING TERMS AT
THE MR-CI LEVEL. II. MINIMA ON THE CROSSING SEAM: FORMALDEHYDE
AND THE PHOTODIMERIZATION OF ETHYLENE
M. Dallos, H. Lischka, R. Shepard, D. R. Yarkony, and P. G. Szalay
J. Chem. Phys. 120 (16), 7330-7339 (2004)

APPLICATION OF MOLECULAR CONNECTIVITY INDICES TO THE
DESIGN OF SUPERCRITICAL CARBON DIOXIDE-SOLUBLE METAL
ION EXTRACTANTS: SC-CO2 SOLUBILITIES OF SYMMETRICALLY
SUBSTITUTED ALKYLENEDIPHOSPHONIC ACIDS
D. R. McAlister, M. L. Dietz, D. Stepinski, P. R. Zalupski, J. A. Dzielawa,
R. E. Barrans, Jr., J. N. Hess, and A. W. Herlinger
Separation Sci. and Tech. 39 (4), 761-780 (2004)

CHANGING Np REDOX SPECIATION IN THE SYNCHROTRON BEAM
S. Skanthakumar, D. Gorman-Lewis, A. Locock, M.-H. Chiang, M. P. Jensen,
P. C. Burns, J. Fein, C. D. Jonah, K. Attenkofer, and L. Soderholm
Proceedings of the Materials Research Society, Vol. 802: Actinide Basic
Science, Applications, and Technology, L. Soderholm, J. Joyce, M. F. Nicol,
D. Shuh, and J. G. Tobin, Materials Research Society, Warrendale, PA, 2004,
pp 151-156

MAY 2004

HIGHER-ORDER PROCESSES IN X-RAY PHOTOIONIZATION AND DECAY
R. W. Dunford, E. P. Kanter, B. Krässig, S. H. Southworth, and L. Young
Radiat. Phys. Chem. 70 (1-3), 149-172 (2004)

PHOTOIONIZATION OF EXCITED STATES OF MOLECULES
S. Pratt
Radiat. Phys. Chem. 70 (1-3), 435-452 (2004)

PHOTOINITATED CHARGE SEPARATION: FROM PHOTOSYNTHESIS
TO NANOPARTICLES
M. C. Thurnauer, N. M. Dimitrijevic, O. G. Poluektov, and T. Rajh
The Spectrum 17 (1), 10-15 (2004)

ION ROTATIONAL DISTRIBUTIONS FOLLOWING VIBRATIONAL
AUTOIONIZATION OF THE RYDBERG STATES OF WATER
W. L. Glab and S. T. Pratt
J. Chem. Phys. 120 (18), 8555-8566 (2004)

A NEW EXPRESSION FOR THE DIRECT QUANTUM MECHANICAL
EVALUATION OF THE THERMAL RATE CONSTANT
D. M. Medvedev and S. K. Gray
J. Chem. Phys. 120 (19), 9060-9070 (2004)

TAKING SNAPSHOTS OF PHOTOEXCITED MOLECULES IN
DISORDERED MEDIA BY USING PULSED SYNCHROTRON X-RAYS
L. X. Chen
Angew. Chem. Int. Ed. 43, 2886-2905 (2004)

HYDROLYSIS OF URANIUM(VI) AT VARIABLE TEMPERATURES
(10-85 °C)
P. Zanonato, P. Di Bernardo, A. Bismondo, G. Liu, X. Chen, and L. Rao
J. Am. Chem. Soc. 126 (17), 5515-5522 (2004)

RECOMBINATION OF GEMINATE (OH, e-aq) PAIRS IN CONCENTRATED
ALKALINE SOLUTIONS: LACK OF EVIDENCE FOR HYDROXYL RADICAL
DEPROTONATION
R. Lian, R. A. Crowell, I. A. Shkrob, D. M. Bartels, D. A. Oulianov, and
D. Gosztola
Chem. Phys. Lett. 389 (4-6), 379-384 (2004)

JUNE 2004

REDOX CHEMISTRY OF KEGGIN HETEROPOLYOXOTUNGSTATE
ANION IN IONIC LIQUIDS
M-H. Chiang, J. A. Dzielawa, M. L. Dietz, and M. R. Antonio
J. Electroanalytical Chem. 567 (1), 77-84 (2004)

ELECTRIC DIPOLE POLARIZABILITIES OF COPPER CLUSTERS
M. B. Knickelbein
J. Chem. Phys. 120 (22), 10450-10454 (2004)

SELF-ASSEMBLY OF SUPRAMOLECULAR LIGHT-HARVESTING
ARRAYS FROM COVALENT MULTI-CHROMOPHORE PERYLENE-3,4:9,
10-BIS(DICARBOXIMIDE) BUILDING BLOCKS
M. J. Ahrens, L. E. Sinks, B. Rybtchinski, W. Liu, B. A. Jones,
J. M. Giaimo, A. V. Gusev, A. J. Goshe, D. M. Tiede, and M. R. Wasielewski
J. Am. Chem. Soc. 126 (26), 8284-8294 (2004)

CHARGE TRANSFER ACROSS THE NANOCRYSTALLINE-DNA
INTERFACE: PROBING DNA RECOGNITION
T. Rajh, Z. Saponjic, J. Liu, N. M. Dimitrijevic, N. F. Scherer,
M. Vega-Arroyo, P. Zapol, L. A. Curtiss, and M. C. Thurnauer
Nano Letters 4 (6), 1017-1023 (2004)

EFFECTS OF SURFACE FUNCTIONALIZATION AND ORGANO-
TAILORING OF SYNTHETIC LAYER SILICATES ON THE
IMMOBILIZATION OF CYTOCHROME c
K. A. Carrado, S. M. Macha, and D. M. Tiede
Chem. Mater. 16 (13), 2559-2566 (2004)

FREE RADICAL DESTRUCTION OF N-NITROSODIMETHYLAMINE
IN WATER
S. P. Mezyk, W. J. Cooper, K. P. Madden, and D. M. Bartels
Environ. Sci. Technol. 38 (11), 3161-3167 (2004)

RADIATION CHEMISTRY OF METHYL tert-BUTYL ETHER IN
AQUEOUS SOLUTION
S. P. Mezyk, J. Jones, W. J. Cooper, T. Tobien, M. G. Nickelsen,
J. W. Adams, K. E. O'Shea, D. M. Bartels, J. F. Wishart,
P. M. Tornatore, K. S. Newman, K. Gregoire, and D. J. Wiedman
Environ. Sci. Technol. 38 (14), 3994-4001 (2004)

ELECTRON PHOTODETACHMENT FROM AQUEOUS ANIONS.
1. QUANTUM YIELDS FOR GENERATION OF HYDRATED
ELECTRON BY 193 AND 248 nm LASER PHOTOEXCITATION
OF MISCELLANEOUS INORGANIC ANIONS
M. C. Sauer, Jr., R. A. Crowell, and I. A. Shkrob
J. Phys. Chem. A 108 (25), 5490-5502 (2004)

SHOCK TUBE STUDIES USING A NOVEL MULTIPASS ABSORPTION
CELL: RATE CONSTANT RESULTS FOR OH + H2 AND OH + C2H6
L. N. Krasnoperov and J. V. Michael
J. Phys. Chem. A 108 (26), 5643-5648 (2004)

NONVANISHING J=1 ‹—› 0 TWO-PHOTON DECAY: E1M2 DECAY
OF THE He-LIKE 23S1 STATE
R. W. Dunford
Phys. Rev. A 69 (6), 062502-1/062502-5 (2004)

SPECTATOR ELECTRON BEHAVIOR DURING CASCADE DECAY IN KRYPTON
G. B. Armen, E. P. Kanter, B. Krässig, J. C. Levin, s. H. Southworth, and L. Young
Phys. Rev. A 69 (6), 062710-1/062710-12 (2004)

INTERPRETATION OF THIRD PHASE FORMATION IN THE Th(IV)-HNO3,
TBP-n-OCTANE SYSTEM WITH BAXTER'S "STICKY SPHERES" MODEL
R. Chiarizia, M. P. Jensen, M. Borkowski, P. Thiyagarajan, and K. C. Littrell
Solvent Extr. and Ion Exchange 22, 325-351 (2004)

ULTRAFAST DYNAMICS FOR ELECTRON PHOTODETACHMENT FROM
AQUEOUS HYDROXIDE
R. A. Crowell, R. Lian, I. A. Shkrob, D. M. Bartels, X. Chen, and S. E. Bradforth
J. Chem. Phys. 120 (24), 11712-11725 (2004)

JULY 2004

FOREWORD: INDO-US WORKSHOP ON RADIATION PHYSICS
WITH SYNCHROTRONS AND OTHER NEW SOURCES
S. Roy and L. Young
Radiat. Phys. Chem. 70 (4-5), 465-467 (2004)

ULTRAFAST PROCESSES IN RADIATION CHEMISTRY
R. A. Crowell, D. J. Gosztola, I. A. Shkrob, D. A. Oulianov, C. D. Jonah,
and T. Rajh
Radiat. Phys. Chem. 70 (4-5), 501-509 (2004)

INNER-SHELL PHOTOIONIZATION IN WEAK AND STRONG
RADIATION FIELDS
S. H. Southworth, R. W. Dunford, D. L. Ederer, E. P. Kanter,
B. Krässig,, and L. Young
Radiat. Phys. Chem. 70 (4-5), 655-660 (2004)

LIGHT-INDUCED CHARGE SEPARATION AND REDOX CHEMISTRY AT
THE SURFACE OF TiO2/HOST-GUEST HYBRID NANOPARTICLES
N. M. Dimitrijevic, T. Rajh, Z. V. Saponjic, L. de la Garza, and D. M. Tiede
J. Phys. Chem. B 108, 9105-9110 (2004)

MAGNETIC FIELD INDUCED ORIENTATION OF PHOTOSYNTHETIC
REACTION CENTERS AS REVEALED BY TIME-RESOLVED D-BAND
EPR OF SPIN-CORRELATED RADICAL PAIRS. II. FIELD DEPENDENCE
OF THE ALIGNMENT
U. Heinen, O. Poluektov, E. Stavitski, T. Berthold, E. Ohmes,
S. L. Schlesselman, J. R. Golecki, G. J. Moro, H. Levanon, M. C. Thurnauer,
and G. Kothe
J. Phys. Chem. B 108 (27), 9498-9504 (2004)

PULSED EPR/ENDOR CHARACTERIZATION OF THE Cu2+ SURFACE
SITE IN PHOTOSYNTHETIC BACTERIAL REACTION CENTERS
L. M. Utschig, A. V. Astashkin, A. M. Raitsimring, M. C. Thurnauer, and
O. G. Poluektov
J. Phys. Chem. B 108, 11150-11156 (2004)

MAGNETIC-FIELD-INDUCED ORIENTATION OF PHOTOSYNTHETIC
REACTION CENTERS AS REVEALED BY TIME-RESOLVED W-BAND EPR
OF SPIN-CORRELATED RADICALS PAIRS: DEVELOPMENT OF A
MOLECULAR MODEL
U. Heinen, J. R. Goleski, O. Poluektov, T. Berthold, S. L. Schlesselman,
D. Frezzato, E. Ohems, G. J. Moro, M. C. Thurnauer, and G. Kothe
Appl. Magn. Reson. 26 (1-2), 99-115 (2004)

METAL ION MODULATED ELECTRON TRANSFER IN PHOTOSYNTHETIC
PROTEINS
L. M. Utschig and M. C. Thurnauer
Acc. Chem. Res. 37, 439-447 (2004)

MAGNETIC ORDERING IN MANGANESE CLUSTERS
M. B. Knickelbein
Phys. Rev B 70 (1), 014424-2/014424-8 (2004)

ROLE OF BOSON-FERMION STATISTICS ON THE RAMAN SPECTRA
OF Br2 (X) IN HELIUM CLUSTERS
D. Lopez-Duran, M. P. de Lara-Castells, G. Delgado-Barrio, P. Villarreal,
C. D. Paola, F. A. Gianturco, and J. Jellinek
Phys. Rev. Lett. 93 (5), 053401-1/053401-4 (2004)

SURFACE PLASMONS AT SINGLE NANOHOLES IN Au FILMS
L. Yin, V. K. Vlasko-Vlasov, A. Rydh, J. Pearson, U. Welp, S. H. Chang,
S. K. Gray, G. C. Schatz, D. B. Brown, and C. W. Kimball
Appl. Phys. Lett. 85 (3), 467-469 (2004)

QUANTUM DYNAMICS OF VIBRATIONALLY ACTIVATED OH-CO
REACTANT COMPLEXES
Y. He, E. M. Goldfield, and S. K. Gray
J. Chem. Phys. 121 (2), 823-828 (2004)

FREQUENCY-DOMAIN "SINGLE-SHOT" ULTRAFAST TRANSIENT
ABSORPTION SPECTROSCOPY USING CHIRPED LASER PULSES
I. A. Shkrob, D. A. Oulianov, R. A. Crowell, and S. Pommeret
J. Appl. Phys. 96 (1), 25-33 (2004)

ANALYSIS OF f-ELEMENT MULTIPHONON VIBRONIC SPECTRA
G. K. Liu, X. Y. Chen, N. M. Edelstein, M. F. Reid, and J. Huang
J. Alloys and Compounds 374 (1-2), 240-244 (2004)

ELECTRODEPOSITION OF NANO-STRUCTURED NICKEL-21%
TUNGSTEN ALLOY AND EVALUATION OF OXYGEN REDUCTION
REACTION IN A 1% SODIUM HYDROXIDE SOLUTION
M. Ma, V. S. Donepudi, G. Sandi, Y. K. Sun, and J. Prakash
Electrochimica Acta 49, 4411-4416 (2004)

AUGUST 2004

FEMTOSECOND TRANSIENT ABSORPTION DYNAMICS OF CLOSE-PACKED
GOLD NANOCRYSTAL MONOLAYER ARRAYS
S.-K. Eah, H. M. Jaeger, N. F. Scherer, X.-M. Lin, and G. P. Wiederrecht
Chem. Phys. Lett. 386, 390-395 (2004)

NEAR-FIELD IMAGING OF METAL NANOPARTICLES
G. P. Wiederrecht
Eur. Phys. J. Appl. Phys. (2004)

INTRODUCTION: CLAY STRUCTURE, SURFACE ACIDITY AND CATALYSIS
K. A. Carrado
Handbook of Layered Materials, S. M. Auerbach, K. A. Carrado, and P. K. Dutta,
Eds., Marcel-Dekker, NY, 2004, pp 1-38

HANDBOOK OF LAYERED MATERIALS
S. M. Auerbach, K. A. Carrado, and P. K. Dutta, Eds., Marcel-Dekker, NY,
2004 (650 pages)

INFLUENCE OF EXTRACTANT AGGREGATION ON THE EXTRACTION OF
TRIVALENT f-ELEMENT CATIONS BY A TETRAALKYLDIGLYCOLAMIDE
T. Yaita, A. W. Herlinger, P. Thiyagarajan, and M. P. Jensen
Solvent Extr. and Ion Exchange 22, 553-571 (2004)

RAMAN SPECTRA OF (He)N-Br2(X) CLUSTERS: THE ROLE OF BOSON/FERMION
STATISTICS IN A QUANTUM SOLVENT
D. Lopez-Duran, M. P. de Lara-Castells, G. Delgado-Barrio, P. Villarreal,
C. Di Paola, F. A. Gianturco, and J. Jellinek
J. Chem. Phys. 121 (7), 2975-2984 (2004)

HOLE SCAVENGING AND PHOTO-STIMULATED RECOMBINATION OF
ELECTRON - HOLE PAIRS IN AQUEOUS TiO2 NANOPARTICLES
I. A. Shkrob and M. C. Sauer, Jr.
J. Phys. Chem. B 108 (33), 12497-12511 (2004)

EFFICIENT, RAPID PHOTOOXIDATION OF CHEMISORBED POLYHYDROXYL
ALCOHOLS AND CARBOHYDRATES BY TiO2 NANOPARTICLES IN AN
AQUEOUS SOLUTION
I. A. Shkrob, M. C. Sauer, Jr. and D. Gosztola
J. Phys. Chem. B 108 (33), 12512-12517 (2004)

COMPOSITE CATHODE WITH Li2Pc
L. G. Scanlon, L. R. Lucente, W. A. Feld, G. Sandí, P. B. Balbuena, P. R. Alonso,
and A. Turner,
J. Electrochem. Soc. 151 (9), A1338-A1343 (2004)

HYDROGEN STORAGE AND ITS LIMITATIONS
G. Sandi
The Eletrochem. Soc. Interface, 40-44 (2004)

RECENT PROGRESS IN THE APPLICATION OF EXTRACTION
CHROMATOGRAPHY TO RADIONUCLIDE SEPARATIONS FOR
NUCLEAR MEDICINE
M. L. Dietz
Synthesis and Application of Isotopically Labelled Compounds, Vol. 8,
D. C. Dean, C. N. Filer, and K. E. McCarthy, Eds., John Wiley & Sons,
New York, 2004

SEPTEMBER 2004

SPIN RELAXATION IN ISOLATED MOLECULES AND CLUSTERS:
THE INTERPRETATION OF STERN-GERLACH EXPERIMENTS
M. B. Knickelbein
J. Chem. Phys. 121 (10), 5281-5283 (2004)

A MODEL FOR THE PHASE STABILITY OF ARBITRARY NANOPARTICLES
AS A FUNCTION OF SIZE AND SHAPE
A. S. Barnard and P. Zapol
J. Chem. Phys. 121 (9), 4276-4283 (2004)

COMPUTATIONAL MODELING OF IONIC TRANSPORT IN CONTINUOUS
AND BATCH ELECTRODIALYSIS
P. J. Moon, G. Sandi, D. Stevens, and R. Kizilel
Separation Sci. and Tech. 39 (11), 2531-2555 (2004)

TIME-RESOLVED HIGH-FREQUENCY AND MULTIFREQUENCY EPR STUDIES
OF SPIN-CORRELATED RADICAL PAIRS IN PHOTOSYNTHETIC REACTION
CENTER PROTEINS
M. C. Thurnauer, O. G. Poluektov, and G. Kothe
Chapter 6 in Biological Magnetic Resonance, Vol. 22, Very High Frequency (VHF)
ESR/EPR
, O. Y. Grinberg and L. J. Berliner, Eds., Kluwer Academic/Plenum Publishers,
New York, 2004, pp 165-206

GEMINATE RECOMBINATION DYNAMICS STUDIED VIA ELECTRON
REEXCITATION: KINETIC ANALYSIS FOR ANION CTTS PHOTOSYSTEMS
I. A. Shkrob
Chem. Phys. Lett. 395 (4-6), 264-268 (2004)

J-AGGREGATES ON METAL NANOPARTICLES CHARACTERIZED THROUGH
ULTRAFAST SPECTROSCOPY AND NEAR-FIELD OPTICS
G. P. Wiederrecht, G. A. Wurtz, J. S. Im, and J. Hranisavljevic
The Journal of Scanning Microscopies 26 (5) (Supplement I), I-2 (2004)

INTERPOLATING MOVING LEAST-SQUARES METHODS FOR FITTING
POTENTIAL ENERGY SURFACES: APPLICATIONS TO CLASSICAL
DYNAMICS CALCULATIONS
Y. Guo. A. Kawano, D. L. Thompson, A. F. Wagner, and M. Minkoff
J. Chem. Phys. 121 (11), 5091-5097 (2004)

AB INITIO STUDY OF AmCl+: f-f SPECTROSCOPY AND CHEMICAL BINDING
J. L. Tilson, C. Naleway, M. Seth, R. Shepard, A. F. Wagner, and W. C. Ermler
J. Chem. Phys. 121 (12), 5661-5675 (2004)

TWO-PHOTON DECAY OF K-SHELL VACANCIES IN SILVER ATOMS
P. H. Mokler, H. W. Schäffer, and R. W. Dunford
Phys. Rev. A 70 (3), 032504-1/032504-5 (2004)

OCTOBER 2004

STRUCTURAL AND ELECTRONIC PROPERTIES OF SMALL BERYLLIUM
CLUSTERS: A THEORETICAL STUDY
S. Srinivas and J. Jellinek
J. Chem. Phys. 121 (15), 7243-7252 (2004)

FERROMAGNETISM IN ONE-DIMENSIONAL VANADIUM-BENZENE SANDWICH
CLUSTERS
K. Miyajima, A. Nakajima, S. Yabushita, M. B. Knickelbein, and K. Kaya
J. Am. Chem. Soc., Comm. 126 (41), 13202-13203 (2004)

HIGH-TEMPERATURE SHOCK TUBE STUDIES USING MULTIPASS ABSORPTION:
RATE CONSTANT RESULTS FOR OH + CH3, OH + CH2, AND THE
DISSOCIATION OF CH3OH
L. N. Krasnoperov and J. V. Michael
J. Phys. Chem. A 108 (40), 8317-8323 (2004)

A GLOBAL AB INITIO POTENTIAL ENERGY SURFACE FOR FORMALDEHYDE
X. Zhang, S. Zou, L. B. Harding, and J. M. Bowman
J. Phys. Chem. A 108 (41), 8980-8986 (2004)

LIGHT-INDUCED TEMPERATURE JUMP CAUSES POWER-DEPENDENT
ULTRAFAST KINETICS OF ELECTRONS GENERATED IN MULTIPHOTON
IONIZATION OF LIQUID WATER
R. A. Crowell, R. Lian, I. A. Shkrob, J. Qian, D. A. Oulianov, and S. Pommeret
J. Phys. Chem. A 108 (42), 9105-9114 (2004)

PHOTOINITIATED REACTIONS OF 2,4,6 TCP ON DEGUSSA P25 FORMULATION
TiO2: WAVELENGTH-SENSITIVE DECOMPOSITION
D. C. Hurum, K. A. Gray, T. Rajh, and M. C. Thurnauer
J. Phys. Chem. B 108 (42), 16483-16487 (2004)

REACTIVITY OF THE Nin(T) (n = 54, 55, 56) CLUSTERS WITH D2(n,j) MOLECULE:
MOLECULAR DYNAMICS SIMULATIONS
S. Özçelik, Z. B. Güvenç, P. Durmus, and J. Jellinek
Surf. Sci. 566-568, 377-382 (2004)

AN ATOM TRAP SYSTEM FOR PRACTICAL 81Kr DATING
X. Du, K. Bailey, Z.-T. Lu, P. Mueller, T. P. O'Connor, and L. Young
Rev. Sci. Instr. 75 (10), 3224-3232 (2004)

NOVEMBER 2004

ENERGETICS OF THE PREYSSLER ANION'S MOLECULAR ORBITALS:
QUANTIFYING THE EFFECT OF THE ENCAPSULATED-CATION'S CHARGE
M-H. Chiang, M. R. Antonio, and L. Soderholm
Dalton Trans. 21, 3562-3567 (2004)

STRUCTURAL CHARACTERIZATION OF MODULAR SUPRAMOLECULAR
ARCHITECTURES IN SOLUTION
D. M. Tiede, R. Zhang, L. X. Chen, L. Yu, and J. S. Lindsey
J. Am. Chem. Soc. 126 (43), 14054-14062 (2004)

STATE-SELECTIVE PRODUCTION OF VIBRATIONALLY EXCITED NO2+
BY DOUBLE-RESONANT PHOTOIONIZATION
P. Bell, F. Aguirre, E. R. Grant, and S. T. Pratt
J. Phys. Chem. A 108 (45), 9645-9651 (2004)

INTRODUCTION TO ACTIVE THERMOCHEMICAL TABLES: SEVERAL
"KEY" ENTHALPIES OF FORMATION REVISITED
B. Ruscic, R. E. Pinzon, M. L. Morton, G. von Laszevski, S. J. Bittner,
S. G. Nijsure, K. A. Amin, M. Minkoff, and A. F. Wagner
J. Phys. Chem. A. 108 (45), 9979-9997 (2004)

PHOTOIONIZATION AND PHOTODISSOCIATION DYNAMICS OF
THE B1S+u AND C1Pu STATES OF H2 AND D2
F. Aguirre and S. T. Pratt
J. Chem. Phys. 121 (20), 9855-9864 (2004)

NEAR-FIELD OPTICAL IMAGING OF NOBLE METAL NANOPARTICLES
G. P. Wiederrecht
Eur. Phys. J. Appl. Phys. 28, 3-18 (2004)

ELECTRON PHOTODETACHMENT FROM AQUEOUS ANIONS. 2.
IONIC STRENGTH EFFECT ON GEMINATE RECOMBINATION
DYNAMICS AND QUANTUM YIELD FOR HYDRATED ELECTRON
M. C. Sauer, Jr., I. A. Shkrob, R. Lian, R. A. Crowell, D. M. Bartels,
X. Chen, D. Suffern, and S. E. Bradforth
J. Phys. Chem. A 108 (47) 10414-10425 (2004)

THERMAL STABILITY OF SUPPORTED PLATINUM CLUSTERS
STUDIED BY IN SITU GISAXS
R. E. Winans, S. Vajda, B. Lee, S. J. Riley, S. Seifert, G. Y. Tihkonov,
and N. A. Tomczyk
J. Phys. Chem. B 108 (47), 18105-18107 (2004)

ANOMALOUS LUMINESCENCE DYNAMICS OF Eu3+ IN BaFCl MICROCRYSTALS
X. Y. Chen, W. Zhao, R. E. Cook, and G. K. Liu
Phys. Rev. B 70 (20), 205122-1/205122-9 (2004)

THE ROAMING ATOM: STRAYING FROM THE REACTION PATH
IN FORMALDEHYDE DECOMPOSITION
D. Townsend, S. A. Lahankar, S. K. Lee, S. D. Chambreau, A. G. Suits,
X. Zhang, J. Rheinecker, L. B. Harding, and J. M. Bowman
Science (Reports) 306, 1158-1161 (2004)

ANION EFFECTS ON IONOGEL FORMATION IN
N,N'
-DIALKYLIMIDAZOLIUM-BASED IONIC LIQUIDS
M. A. Firestone, P. G. Rickert, S. Seifert, and M. L. Dietz
Inorg. Chim. Acta 357 (13), 3991-3998 (2004)

COHERENT COUPLING OF MOLECULUAR EXCITONS TO
ELECTRONIC POLARIZATIONS OF NOBLE METAL NANOPARTICLES
G. P. Wiederrecht, G. A. Wurtz, and J. Hranisavljevic
Nano Lett. 4 (11), 2121-2125 (2004)

GEMINATE RECOMBINATION OF ELECTRONS GENERATED BY
ABOVE-THE-GAP (12.4 eV) PHOTOIONIZATION OF LIQUID WATER
R. Lian, D. A. Oulianov, I. A. Shkrob, and R. A. Crowell
Chem. Phys. Lett. 398 (1-3), 102-106 (2004)

DECEMBER 2004

EXTRACTION OF ZIRCONIUM NITRATE BY TBP IN n-OCTANE:
INFLUENCE OF CATION TYPE ON THIRD PHASE FORMATION
ACCORDING TO THE "STICKY SPHERES" MODEL
R. Chiarizia, M. P. Jensen, P. G. Rickert, Z. Kolarik, M. Borkowski,
and P. Thiyagarajan
Langmuir 20 (25), 10798-10808 (2004)

COVER PICTURE: EXTRACTION OF ZIRCONIUM NITRATE BY TBP
IN n-OCTANE: INFLUENCE OF CATION TYPE ON THIRD PHASE
FORMATION ACCORDING TO THE "STICKY SPHERES" MODEL
R. Chiarizia, M. P. Jensen, P. G. Rickert, Z. Kolarik, M. Borkowski,
and P. Thiyagarajan
Langmuir 20 (2004)

PREPARATION AND CHARACTERIZATION OF THE NATIVE
IRON(II)-CONTAINING DNA REPAIR AlkB PROTEIN DIRECTLY
FROM ESCHERICHIA COLI
Y. Mishina, L. X. Chen, and C. He
J. Am. Chem. Soc. 126 (51), 16930-16936 (2004)

PREDICTING THE ENERGETICS, PHASE STABILITY, AND
MORPHOLOGY EVOLUTION OF FACETED AND SPHERICAL
ANATASE NANOCRYSTALS
A. S. Barnard and P. Zapol
J. Phys. Chem. B 108 (48), 18435-18440 (2004)

NUCLEATION AND GROWTH AND CARBONACEOUS
NANO-SIZED PARTICLES
J. P. Hessler, R. S. Tranter, S. Vajda, and N. Van Wermeskerken
APS Activity Report 2003 (ANL-04/16)

NEW TIME-RESOLVED DETECTOR FOR SMALL-ANGLE
X-RAY SCATTERING STUDIES
J. P. Hessler, P. M. De Lurgio, G. Jennings, A. S. Kreps,
S. Seifert and J. Weizeorick
APS Activity Report 2003 (ANL-04/16)

LATTICE DISORDER AND MAGNETISM IN f-ELECTRON
INTERMETALLICS
C. H. Booth, S.-W. Han, S. Skanthakumar, and J. L. Sarrao
Physica B 354, 313-319 (2004)

INTERPOLATING MOVING LEAST-SQUARES METHODS FOR
FITTING POTENTIAL ENERGY SURFACES: ANALYSIS OF AN
APPLICATION TO A SIX-DIMENSIONAL SYSTEM
G. G. Maisuradze, A. Kawano, D. L. Thompson, A. F. Wagner,
and M. Minkoff
J. Chem. Phys. 121 (21), 10329-10338 (2004)

EXPLORING FINE STRUCTURES OF PHOTOACTIVE YELLOW
PROTEIN IN SOLUTION USING WIDE-ANGLE X-RAY SCATTERING
T. K. Kim, X. Zuo, D. M. Tiede, and H. Ihee
Bull. Korean Chem. Soc. 25 (11), 1676-1680 (2004)

Return to Publications

 

   
Home | Contacts | Site Map | Research Areas | Staff |
Publications | Seminars | Conferences | Fermi Scholar | Intranet