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Publications

JANUARY 2003

LEACHING OF U(VI), Am(III), AND Sr(II) FROM SIMULATED
TANK WASTE SLUDGES
A. Y. Garnov, L. Rao, K. L. Nash, and A. H. Bond
Sep. Sci. Technol. 38 (2), 359-374 (2003)

VELOCITY MAP IMAGING OF THE PHOTODISSOCIATION OF
CF3I: VIBRATIONAL ENERGY DEPENDENCE OF THE RECOIL
ANISOTROPY
F. Aguirre and S. T. Pratt
J. Chem. Phys. 118 (3), 1175-1183 (2003)

SURFACE MODIFICATION OF TiO2: A ROUTE FOR EFFICIENT
SEMICONDUCTOR ASSISTED PHOTOCATALYSIS
T. Rajh, O. V. Makarova, M. C. Thurnauer, and D. Cropek
Synthesis, Functionalization and Surface Treatment of
Nanoparticles,
Chapter 9, 2003, Ed., M.-I. Baraton, American
Scientific Publishers, CA, pp. 147-171

AGGREGATES STRUCTURE ANALYSIS OF PETROLEUM
ASPHALTENES WITH SMALL-ANGLE NEUTRON SCATTERING
R. Tanaka, J. E. Hunt, R. E. Winans, P. Thiyagarajan, S. Sato and
T. Takanohashi
Energy and Fuels 17 (1), 127-134 (2003)

PHOTOIONIZATION STUDIES OF CHROMIUM CLUSTERS:
IONIZATION ENERGIES OF Cr4 TO Cr25
M. B. Knickelbein
Phys. Rev. A 67, 013202-1/013202-6 (2003)

INTENSITY AND BANDWIDTH OF MULTIPHONON VIBRONIC
TRANSITIONS OF RARE-EARTH IONS IN CRYSTALS
G. K. Liu, X. Y. Chen, and J. Huang
Mol. Phys. 101 (7), 1029-1036 (2003)

FEBRUARY 2003

IN SITU SAXS STUDIES OF THE STRUCTURAL CHANGES
OF POLYMER NANOCOMPOSITES USED IN BATTERY
APPLICATIONS
G. Sandí, H. Joachin, R. Kizilel, S. Seifert, and K. A. Carrado
Chem. Mater. 15 (4), 838-843 (2003)

NONDIPOLE ASYMMETRIES OF Kr 1s PHOTOELECTRONS
B. Krässig, J.-C. Bilheux, R. W. Dunford, D. S. Gemmell, S. Hasegawa,
E. P. Kanter, S. H. Southworth, and L. Young
Phys. Rev. A 67, 022707-1/0227077 (2003)

QUANTUM REACTIVE SCATTERING CALCULATIONS OF CROSS
SECTIONS AND RATE CONSTANTS FOR THE N(2D)+O2(X 3Sg-)
®O(3P) + NO(X2P) REACTION
I. Miquel, M. Gonzalez, R. Sayos, G. G. Balint-Kurti, S. K. Gray, and
E. M. Goldfield
J. Chem. Phys. 118 (7), 3111-3123 (2003)

H-ATOM ELECTRON-SPIN POLARIZATION IN IRRADIATED
WATER AND ICE CONFINED IN THE NANOPORES OF VYCOR GLASS
V. F. Tarasov, S. D. Chemerisov, and A. D. Trifunac
J. Phys. Chem. B 107 (6), 1293-1301 (2003)

MARCH 2003

URANYL COORDINATION ENVIRONMENT IN HYDROPHOBIC IONIC
LIQUIDS: AN IN SITU INVESTIGATION
A. E. Visser, M. P. Jensen, I. Laszak, K. L. Nash, G. R. Choppin, and
R. D. Rogers
Inorg. Chem. 42 (7), 2197-2199 (2003)

POLYMER-CLAY NANOCOMPOSITES
K. A. Carrado
Advanced Polymeric Materials: Structure Property Relationships,
G. Shonaike and S. Advani, Eds., CRC Press LLC, Boca Raton, FL,
Chapter 10, 349-396 (2003)

PORE STRUCTURE AND SORPTION PROPERTIES OF SILICA
AEROGELS STUDIED BY MAGNETIC RESONANCE IMAGING
AND PULSED-FIELD GRADIENT SPECTROSCOPY
D. M. Gregory and R. E. Botto
Appl. Spectr. 57 (3), 245-250 (2003)

SINC WAVE PACKETS: NEW FORM OF WAVE PACKET
FOR TIME-DEPENDENT QUANTUM MECHANICAL
REACTIVE SCATTERING CALCULATIONS
M. Hnakel, G. G. Balint-Kurti, and S. K. Gray
Intl. J. Quantum Chem. 92, 205-211 (2003)

REACTION OF OH· RADICALS WITH H2 IN SUB-CRITICAL WATER
T. W. Marin, C. D. Jonah, and D. M. Bartels
Chem. Phys. Lett. 371, 144-149 (2003)

CONFINEMENT OF ELECTRON-PHONON INTERACTION ON
LUMINESCENCE DYNAMICS IN NANOPHOSPHORS OF Er3+:Y2O2S
G. K. Liu, X. Y. Chen, H. Z. Zhuang, S. Li, and R. S. Niedbala
J. Solid State Chem. 171 (1-2), 123-132 (2003)

THIRD PHASE FORMATION REVISITED: THE U(VI), HNO3 - TBP,
n
-DODECANE SYSTEM
R. Chiarizia, M. P. Jensen, M. Borkowski, J. R. Ferraro, P. Thiyagarajan,
and K. C. Littrell
Solvent Extr. and Ion Exch. 21 (1), 1-27 (2003)

APRIL 2003

PULSED HIGH-FREQUENCY EPR STUDY ON THE LOCATION OF
CAROTENOID AND CHLOROPHYLL CATION RADICALS IN
PHOTOSYSTEM II
K. V. Lakshmi, O. G. Poluektov, M. J. Reifler, A. M. Wagner,
M. C. Thurnauer, and G. W. Brudvig
J. Am. Chem. Soc. 125 (17), 5005-5014 (2003)

ION-IMAGING OF THE PHOTODISSOCIATION OF CF3I+
F. Aguirre and S. T. Pratt
J. Chem. Phys. 118 (14), 6318-6326 (2003)

COMPARISON OF THE ELECTROCHEMICAL PERFORMANCE
OF CARBON PRODUCED FROM SEPIOLITE WITH DIFFERENT
SURFACE CHARACTERISTICS
G. Sandí, H. Joachin, W. Lu, J. Prakash, and G. Tassara
J. New Materials for Electrochem. Systems 6 (2), 75-80 (2003)

TRIPLE IONIZATION OF LITHIUM BY ELECTRON IMPACT
M.-T. Huang, W. W. Wong, M. Inokuti, S. H. Southworth, and
L. Young
Phys. Rev. Lett. 90 (16), 163201-1/163201-4 (2003)

THRESHOLD KRYPTON CHARGE-STATE DISTRIBUTIONS
COINCIDENT WITH K-SHELL FLUORESCENCE
G. B. Armen, E. P. Kanter, B. Krässig, J. C. Levin, S. H. Southworth,
and L. Young
Phys. Rev. A 67, 042718-1/042718-12 (2003)

ELECTRIC DIPOLE POLARIZABILITIES OF Nb2-27
M. B. Knickelbein
J. Chem. Phys. 118 (14), 6230-6233 (2003)

MAY 2003

BIOLOGY OF TiO2-OLIGONUCLEOTIDE NANOCOMPOSITES
T. Paunesku, T. Rajh, G. Wiederrecht, J. Maser, S. Vogt, N. Stojicevic,
M. Protic, B. Lai, J. Oryhon, M. Thurnauer, and G. Woloschak
Nature Materials 2, 343-346 (2003)

CONVERTING KOHN-SHAM EIGENENERGIES INTO ELECTRON
BINDING ENERGIES
J. Jellinek and P. H. Acioli
J. Chem. Phys. 118 (17), 7783-7796 (2003)

COMPOSITION OF THE ORGANIC PHASE SPECIES IN THE
SYNERGISTIC EXTRACTION OF Sr2+ BY MIXTURES OF
DI(2-ETHYLHEXYL) ALKYLENEDIPHOSPHONIC ACIDS
AND DICYCLOHEXANO-18-CROWN-6
R. Chiarizia, D. R. McAlister, and A. W. Herlinger
Solvent Extr. & Ion Exchange 21 (2), 171-197 (2003)

EXPLAINING THE ENHANCED PHOTOCATALYTIC ACTIVITY
OF DEGUSSA P25 MIXED-PHASE TiO2 USING EPR
D. C. Hurum, A. G. Agrios, K. A. Gray, T. Rajh, and M. C. Thurnauer
J. Phys. Chem. B 107 (19), 4545-4549 (2003)

HARTREE-FOCK AND DENSITY FUNCTIONAL COMPLETE
BASIS-SET (CBS) PREDICTED NUCLEAR SHIELDING
ANISOTROPY AND SHIELDING TENSOR COMPONENTS
T. Kupka, B. Ruscic, and R. E. Botto
Solid State Nucl. Magn. Reson. 23 (3), 145-167 (2003)

TWO-PHOTON DECAY IN GOLD ATOMS FOLLOWING
PHOTOIONIZATION WITH SYNCHROTRON RADIATION
R. W. Dunford, E. P. Kanter, B. Krässig, S. H. Southworth,
L. Young, P. H. Mokler, and Th. Stöhlker
Phys. Rev. A 67, 054501-1/054501-4 (2003)

TOWARDS ULTRAHIGH SENSITIVITY ANALYSIS OF 41Ca
I. D. Moore, K. Bailey, Z.-T. Lu, P. Müller, T. P. O'Connor, and L. Young
Nucl. Instrum. Meth. B 204, 701-704 (2003)

APPLICATIONS OF POSITION SENSITIVE GERMANIUM DETECTORS
FOR X-RAY SPECTROSCOPY OF HIGHLY CHARGED HEAVY IONS
T. Stöhlker, D. Banas, H. F. Beyer, A. Gumberidze, C. Kozhuharov,
E. Kanter, T. Krings, W. Lewoczko, X. Ma, D. Protic, D. Sierpowski,
U. Spillmann, S. Tachenov, and A. Warczak
Nucl. Instrum. Meth. B 205, 210-214 (2003)

JUNE 2003

MLCT STATE STRUCTURE AND DYNAMICS OF A COPPER(I)
DIIMINE COMPLEX CHARACTERIZED BY PUMP-PROBE
X-RAY AND LASER SPECTROSCOPIES AND DFT CALCULATIONS
L. X. Chen, G. B. Shaw, I. Novozhilova, T. Liu, G. Jennings,
K. Attenkofer, G. J. Meyer, and P. Coppens
J. Am. Chem. Soc. 125
(23), 7022-7034 (2003)

ELECTROCHEMICAL PERFORMANCE OF CARBON MATERIALS
DERIVED FROM PAPER MILL SLUDGE
G. Sandí, N. R. Khalili, W. Lu, and J. Prakash
J. Power Sources 119-121C, 34-38 (2003)

POLYMER NANOCOMPOSITES FOR LITHIUM BATTERY
APPLICATIONS
G. Sandí, K. A. Carrado, H. Joachin, W. Lu, and J. Prakash
J. Power Sources 119-121C, 492-496 (2003)

DETERMINATION OF THE RATE CONSTANT FOR THE
NCO(X2P) + O(3P) REACTION AT 292 K
Y. Gao and R. Glen Macdonald
J. Phys. Chem. A 107 (23) 4625-4635 (2003)

PROBING LOCAL DYNAMICS OF THE PHOTOSYNTHETIC
BACTERIAL REACTION CENTER WITH A CYSTEINE SPECIFIC
SPIN LABEL
O. G. Poluektov, L. M. Utschig, S. Dalosto, and M. C. Thurnauer
J. Phys. Chem. B 107 (25), 6239-6244 (2003)

PHOTO-INITIATED ENERGY TRANSFER IN NANOSTRUCTURED
COMPLEXES OBSERVED BY NEAR-FIELD OPTICAL MICROSCOPY
G. A. Wurtz, J. Hranisavljevic, and G. P. Wiederrecht
J. Microscopy 210 (3), 340-343 (2003)

THEORETICAL DETERMINATION OF ELECTRON BINDING
ENERGY SPECTRA OF ANIONIC MAGNESIUM CLUSTERS
P. H. Acioli and J. Jellinek
Eur. Phys. J. D 24 (1-3), 27-32 (2003)

CRYSTALLIZATION, PHASE TRANSITION AND OPTICAL
PROPERTIES OF THE RARE-EARTH-DOPED NANOPHOSPHORS
SYNTHESIZED BY CHEMICAL DEPOSITION
X. Y. Chen, L. Yang, R. E. Cook, S. Skanthakumar, D. Shi, and G. K. Liu
Nanotechnology 14 (6), 670-674 (2003)

DOUBLE K-SHELL PHOTOIONIZATION OF NEON
S. H. Southworth, E. P. Kanter, B. Krassig, L. Young, G. B. Armen,
J. C. Levin, D. L. Ederer, and M. H. Chen
Phys. Rev. A 67 (6), 062712-1/062712-6 (2003)

JULY 2003

COORDINATION OF ACTINIDE IONS IN WELLS-DAWSON
HETEROPOLYOXOANION COMPLEXES
M-H. Chiang, C. W. Williams, L. Soderholm, and M. R. Antonio
Eur. J. Inorg. Chem. 2003 (14), 2663-2669 (2003)

SUBSTRATE-SUPPORTED LIPID NANOTUBE ARRAYS
A. I. Smirnov and O. G. Poluektov
J. Am. Chem. Soc., Communication 125 (28), 8434-8435 (2003)

HEATS OF FORMATION OF ALKALI METAL AND ALKALINE
EARTH METAL OXIDES AND HYDROXIDES: SURPRISINGLY
DEMANDING TARGETS FOR HIGH-LEVEL AB INITIO PROCEDURES
M. B. Sullivan, M. A. Iron, P. C. Redfern, J. M. L. Martin, L. A. Curtiss,
and L. Radom
J. Phys. Chem. A 107 (29), 5617-5630 (2003)

REVEALING THE NATURE OF TRAPPING SITES IN NANOCRYSTALLINE
TITANIUM DIOXIDE BY SELECTIVE SURFACE MODIFICATION
N. M. Dimitrijevic, Z. V. Saponjic, D. M. Bartels, M. C. Thurnauer,
D. M. Tiede, and T. Rajh
J. Phys. Chem. B 107 (30), 7368-7375 (2003)

E1-E2 INTERFERENCE IN THE VUV PHOTOIONIZATION OF He
E. P. Kanter, B. Krässig, S. H. Southworth, R. Guillemin, O. Hemmers,
D. W. Lindle, R. Wehlitz, M. Ya. Amusia, L. V. Chernysheva, and
N. L. S. Martin
Phys. Rev. A 68 (1), 012714-1/012714-10 (2003)

PROPAGATION OF LIGHT IN METALLIC NANOWIRE ARRAYS:
FINITE-DIFFERENCE TIME-DOMAIN STUDIES OF SILVER CYLINDERS
S. K. Gray and T. Kupka
Phys. Rev. B 68 (4), 045415-1/045415-11 (2003)

Handbook of Zeolite Science and Technology
S. M. Auerbach, K. A. Carrado, and P. K. Dutta, Eds., Marcel-Dekker,
New York (2003)

EXCITED-STATE MOLECULAR STRUCTURE IN DISORDERED MEDIA
CAPTURED BY X-RAY PULSES
L. X. Chen
Synchrotron Radiation News, 16 (4), 24-27 (2003)

DETERMINATION OF THE HYDROGEN STORAGE CAPACITY OF
NOVEL SEPIOLITE DERIVED CARBONACEOUS MATERIALS
G. Sandí, H. Yang, H. Joachin, K. A. Carrado, R. E. Winans, and J. Prakash
J. New Mater. Electrochem. Systems 6 (3), 169-173 (2003)

ELECTROCHEMICAL PERFORMANCE OF LITHIUM ION BATTERIES
PREPARED WITH SEPIOLITE-DERIVED CARBONS AND LITHIUM
TRANSITION METAL OXIDE POSITIVE ELECTRODES
G. Sandí, H. Joachin, H. Yang, and J. Prakash
J. New Mater. Electrochem. Systems 6 (3), 175-179 (2003)

RAMAN AND NEXAFS SPECTROSCOPY CHARACTERIZATION OF
TEMPLATED-CARBON ANODES
G. Sandí
J. New Mater. Electrochem. Systems 6 (3), 181-189 (2003)

AUGUST 2003

REDOX CHEMISTRY OF ACTINIDE IONS IN WELLS-DAWSON
HETEROPOLYOXOANION COMPLEXES
M-H. Chiang, L. Soderholm, M. R. Antonio
Eur. J. Inorg. Chem. 2003 (16), 2929-2936 (2003)

COVER PICTURE: REDOX CHEMISTRY OF ACTINIDE IONS
IN WELLS-DAWSON HETEROPOLYOXOANION COMPLEXES
M-H. Chiang, L. Soderholm, M. R. Antonio
Eur. J. Inorg. Chem. 2003 (16), COVER (2003)

INCORPORATION OF Am INTO THE SUPERCONDUCTOR-RELATED
PHASE Pr2CuO4
S. Skanthakumar, C. W. Williams, and L. Soderholm
Phys. Rev. B 68 (6), 064510-1/064510-7 (2003)

INTER- AND INTRASPECIFIC VARIATION IN EXCITED-STATE
TRIPLET ENERGY TRANSFER RATES IN REACTION CENTERS
OF PHOTOSYNTHETIC BACTERIA
P. D. Laible, Z. S. Morris, M. C. Thurnauer, M. Schiffer, and D. K. Hanson
Photochem. Photobiol. 78 (2), 114-123 (2003)

COLLISIONLESS FRAGMENTATION OF NON-ROTATION Nin
(n=4-14) CLUSTERS: A MOLECULAR DYNAMICS STUDY
H. Avci, M. Civi, Z. B. Guvenc, and J. Jellinek
J. Phys. B: At. Mol. Opt. Phys. 36 (16), 3487-3507 (2003)

DRAMATIC NONDIPOLE EFFECTS IN LOW-ENERGY PHOTOIONIZATION:
EXPERIMENTAL AND THEORETICAL STUDY OF Xe 5s
O. Hemmers, R. Guillemin, E. P. Kanter, B. Krässig, D. W. Lindle,
S. H. Southworth, R. Wehlitz, J. Baker, A. Hudson, M. Lotrakul, D. Rolles,
W. C. Stolte, I. C. Tran, A. Wolska, S. W. Yu, M. Ya. Amusia, K. T. Cheng,
L. V. Chernysheva, W. R. Johnson, and S. T. Manson
Phys. Rev. Lett. 91 (5), 053002-1/053002-5 (2003)

CATALYTIC DECOMPOSITION OF ALCOHOLS, INCLUDING ETHANOL,
FOR IN SITU H2 GENERATION IN A FUEL STREAM USING A LAYERED
DOUBLE HYDROXIDE-DERIVED CATALYST
S. R. Segal, K. A. Carrado, C. L. Marshall, and K. B. Anderson
Applied Catalysis A 248 (1-2), 33-45 (2003)

IMPLEMENTATION OF A FAST ANALYTIC GROUND STATE
POTENTIAL ENERGY SURFACE FOR THE N(2D) + H2 REACTION
T-S. Ho, H. Rabitz, F. Javier Aoiz, L. Banares, S. A. Vazquez, and
L. B. Harding
J. Chem. Phys. 119 (6), 3063-3070 (2003)

H + H2 THERMAL REACTION: A CONVERGENCE OF THEORY
AND EXPERIMENT
S. L. Mielke, K. A. Peterson, D. W. Schwenke, B. C. Garrett, D. G. Truhlar,
J. V. Michael, M-C. Su, and J. W. Sutherland
Phys. Rev. Lett. 91 (6), 063201-1/063201-4 (2003)

SEPTEMBER 2003

A QUASICLASSICAL TRAJECTORY STUDY OF THE REACTION
OH+CO ® H+CO2
M. J. Lakin, D. Troya, G. C. Schatz, and L. B. Harding
J. Chem. Phys. 119 (12), 5848-5859 (2003)

TEMPERATURE EFFECT ON THE EXTRACTION OF Am(III),
U(VI), AND SR(II) BY DIALKYL-SUBSTITUTED
ALKYLENEDIPHOSPHONIC ACIDS
E. O. Otu and R. Chiarizia
Separation Science and Tech. 38 (12&13), 2619-2636 (2003)

AGGREGATION, METAL ION EXTRACTION, AND SOLUBILITY
PROPERTIES OF SILYL-SUBSTITUTED ALKYLENEDIPHOSPHONIC
ACIDS
A. W. Herlinger, D. R. McAlister, R. Chiarizia, and M. L. Dietz
Separation Science and Tech. 38 (12&13), 2741-2762 (2003)

SANS STUDY OF THIRD PHASE FORMATION IN THE
U(VI)-HNO3/TBP-n-DODECANE SYSTEM
R. Chiarizia, M. P. Jensen, M. Borkowski, J. R. Ferraro,
P. Thiyagarajan, and K. C. Littrell
Separation Science and Tech. 38 (12&13), 3313-3331 (2003)

SANS STUDY OF THIRD PHASE FORMATION IN THE
Th(IV)-HNO3/TBP-n-OCTANE SYSTEM
M. Borkowski, R. Chiarizia, M. P. Jensen, J. R. Ferraro,
P. Thiyagarajan, and K. C. Littrell
Separation Science and Tech. 38 (12&13), 3333-3351 (2003)

A QUANTUM DYNAMICS STUDY OF D2 + OH ® DOH + D
ON THE WSLFH POTENTIAL ENERGY FUNCTION
P. Defazio and S. K. Gray
J. Phys. Chem. A 107 (37), 7132-7137 (2003)

FERRIMAGNETISM IN Mn7 CLUSTER
S. N. Khanna, B. K. Rao, P. Jena, and M. Knickelbein
Chem. Phys. Lett. 378, 374-379 (2003)

THEORETICAL STUDY OF DIELECTRICALLY COATED
METALLIC NANOWIRES
J. M. Oliva and S. K. Gray
Chem. Phys. Lett. 379, 325-331 (2003)

OCTOBER 2003

COMPUTATIONAL STUDIES OF CATECHOL AND WATER
INTERACTIONS WITH TITANIUM OXIDE NANOPARTICLES
P. C. Redfern, P. Zapol, L. A. Curtiss, T. Rajh, and M. C. Thurnauer
J. Phys. Chem. B 107 (41), 11419-11427 (2003)

THEORETICAL STUDY OF THE IONIZATION POTENTIAL OF
THYMINE: EFFECT OF ADDING CONJUGATED FUNCTIONAL GROUPS
M. Vega-Arroyo, P. R. LeBreton, T. Rajh, P. Zapol, and L. A. Curtiss
Chem. Phys. Lett. 380 (1-2), 54-62 (2003)

DETERMINATION OF THE RATE CONSTANT FOR THE
RADICAL-RADICAL REACTION CN(X2S+) + OH(X2P) AT 292 K
B. K. Decker and R. G. Macdonald
J. Phys. Chem. A 107 (43), 9137-9146 (2003)

BRANCHED ALIPHATIC ALKANES WITH QUATERNARY
SUBSTITUTED CARBON ATOMS IN MODERN AND ANCIENT
GEOLOGIC SAMPLES
F. Kenig, D-J. H. Simons, D. Crich, J. P. Cowen, G. T. Ventura,
T. Rehbein-Khalily, T. C. Brown, and K. B. Anderson
Proc. Natl. Acad. Sci. 100 (22), 12554-12558 (2003)

ENERGY LEVELS OF Pr3+ IN CsPrP4O12 AND RbPrP4O12
CYCLOTETRAPHOSPHATES
K. Horchani, J. C. Gacon, M. Ferid, M. Trabelsi-Ayedi, O. Krachni,
and G. K. Liu
Optical Materials 24 (1-2), 169-174 (2003)

CONVENTIONAL ASPECTS OF UNCONVENTIONAL SOLVENTS:
ROOM-TEMPERATURE IONIC LIQUIDS AS ION-EXCHANGERS
AND IONIC SURFACTANTS
M. L. Dietz, J. A. Dzielawa, M. P. Jensen, and M. A. Firestone
Ionic Liquids as Green Solvents: Progress and Prospects,
R. D. Rodgers and K. R. Seddon, Eds., American Chemical Society,
Washington, DC, 2003, Vol. 856, pp 526-543

THIRD PHASE FORMATION IN TBP SOLVENT EXTRACTION
SYSTEMS AS A RESULT OF INTERACTION BETWEEN REVERSE
MICELLES
R. Chiarizia, P. Thiyagarajan, M. P. Jensen, M. Borkowski, and K. C. Littrell
Proceedings of Hydrometallurgy 2003, Fifth Intl. Conf. in Honor of
Prof. Ian Ritchie
, C. A. Young, A. M. Alfantazi, C. G. Anderson,
D. B. Dreisinger, B. Harris, and A. James, Eds., TMS (The Minerals,
Metals and Materials Society), Warrendale, PA, 2003, Vol. 1: Leaching
and Solution Purification, pp 917-928

ROOM-TEMPERATURE IONIC LIQUIDS AS DILUENTS FOR THE
LIQUID-LIQUID EXTRACTION OF METAL IONS: PROMISE AND
LIMITATIONS
M. L. Dietz, M. P. Jensen, J. V. Beitz, and J. A. Dzielawa
Proceedings of Hydrometallurgy 2003, Fifth Intl. Conf. in Honor of
Prof. Ian Ritchie
, C. A. Young, A. M. Alfantazi, C. G. Anderson,
D. B. Dreisinger, B. Harris, and A. James, Eds., TMS (The Minerals,
Metals and Materials Society), Warrendale, PA, 2003, Vol. 1: Leaching
and Solution Purification, pp 929-939

NOVEMBER 2003

VELOCITY MAP IMAGING OF THE PHOTODISSOCIATION OF
CF3I+ IN THE Ã ® X BAND
F. Aguirre and S. T. Pratt
J. Chem. Phys. 119 (18), 9476-9485 (2003)

INTERPOLATING MOVING LEAST-SQUARES METHODS FOR
FITTING POTENTIAL ENERGY SURFACES: DETAILED
ANALYSIS OF ONE-DIMENSIONAL APPLICATIONS
G. G. Maisuradze, D. L. Thompson, A. F. Wagner, and M. Minkoff
J. Chem. Phys. 119 (19), 10002-10014 (2003)

MODE-DEPENDENT VIBRATIONAL AUTOIONIZATION OF NO2
P. Bell, F. Aguirre, E. R. Grant, and S. T. Pratt
J. Chem. Phys. 119 (19), 10146-10157 (2003)

APPLICATION OF THE BAXTER MODEL FOR HARD SPHERES
WITH SURFACE ADHESION TO SANS DATA FOR THE
U(VI) - HNO3, TBP-n-DODECANE SYSTEM
R. Chiarizia, K. L. Nash, M. P. Jensen, P. Thiyagarajan, and K. C. Littrell
Langmuir 19 (23), 9592-9599 (2003)

ELECTROMAGNETIC SCATTERING PATHWAYS FOR METALLIC
NANOPARTICLES: A NEAR-FIELD OPTICAL STUDY
G. A. Wurtz, J. Hranisavljevic, and G. P. Wiederrecht
Nano Letters 3 (11), 1511-1516 (2003)

SELF-ASSEMBLY OF TOPO-DERIVATIZED SILVER NANOPARTICLES
INTO MULTILAYERED FILM
Z. V. Saponjic, R. Csencsits, T. Rajh, and N. M. Dimitrijevic
Chem. Mater. 15 (23), 4521-4526 (2003)

CONFINEMENT ON ENERGY TRANSFER BETWEEN LUMINESCENT
CENTERS IN NANOCRYSTALS
X. Y. Chen, H. Z. Zhuang, G. K. Liu, S. Li, and R. S. Niedbala
J. Appl. Phys. 94 (9), 5559-5565 (2003)

QUANTUM STATES OF MOLECULAR HYDROGEN AND ITS
ISOTOPES IN SINGLE-WALLED CARBON NANOTUBES
T. Lu, E. M. Goldfield, and S. K. Gray
J. Phys. Chem. B 107 (47), 12989-12995 (2003)

A FRAMEWORK FOR BUILDING A SCIENTIFIC KNOWLEDGE
GRID APPLIED TO THERMOCHEMICAL TABLES
G. von Laszewski, K. Amin, S. Nijsure, B. Ruscic, S. Krishnan,
and P. Wagstrom
Int. J. High Perform. Comput. Appl. 17 (04), 431-448 (2003)

LYSINE SUBSTITUTIONS NEAR PHOTOACTIVE COFACTORS IN
THE BACTERIAL PHOTOSYNTHETIC REACTION CENTER HAVE
OPPOSITE EFFECTS ON THE RATE OF TRIPLET ENERGY TRANSFER
Z. S. Morris, D. K. Hanson, P. R. Pokkuluri, D. G. Mets, A. N. Hata,
O. G. Poluektov, M. C. Thurnauer, M. Schiffer, and P. D. Laible,
Chem. Phys. 294, 329-346 (2003)

DECEMBER 2003

RATE CONSTANTS FOR D + C2H2 ® C2HD + H AT HIGH TEMPERATURE:
IMPLICATIONS TO THE HIGH PRESSURE RATE CONSTANT FOR
H + C2H2 ® C2H3
J. V. Michael, M.-C. Su, J. W. Sutherland, L. B. Harding, and A. F. Wagner
J. Phys. Chem. A 107 (49), 10533-10543 (2003)

STRUCTURAL QUANTUM ISOTOPE EFFECTS IN AMORPHOUS
BERYLLIUM HYDRIDE
S. Sampath, K. M. Lantzky, C. J. Benmore, J. Neuefeind, J. E. Siewenie,
P. A. Egelstaff, and J. L. Yarger
J. Chem. Phys. 119 (23) 12499-12502 (2003)

MECHANISMS OF METAL ION TRANSFER INTO ROOM-TEMPERATURE
IONIC LIQUIDS: THE ROLE OF ANION EXCHANGE
M. P. Jensen, J. Neuefeind, J. V. Beitz, S. Skanthakumar, and L. Soderholm
J. Am. Chem. Soc. 125 (50), 15466-15473 (2003)

COBALT(I) SALT FORMATION IN HYDROFORMYLATION CATALYSIS
J. W. Rathke, R. J. Klingler, M. J. Chen, R. E. Gerald II, and K. W. Kramarz
The Chemist 80 (1), 9-12 (2003)

INFLUENCE OF SOLVENT STRUCTURAL VARIATIONS ON THE
MECHANISM OF FACILITATED ION TRANSFER INTO ROOM-TEMPERATURE
IONIC LIQUIDS
M. L. Dietz, J. A. Dzielawa, I. Laszak, B. A. Young, and M. P. Jensen
Green Chemistry 5 (6), 682-685 (2003)

STERIC EFFECTS AS A BASIS FOR IMPROVED MONOVALENT CATION
EXTRACTION SELECTIVITY IN CROWN ETHERS
R. C. Gatrone, M. L. Dietz, C. D. Mitchell, J. Stevens, and S. Hoffman-Glass
J. Radioanal. and Nucl. Chem. 258 (3), 673-676 (2003)

MODULATION OF THE EXCITON LIFETIME OF J-AGGREGATES ON
METAL NANOPARTICLES AND NANOPARTICLE ARRAYS EXPLORED
THROUGH ULTRAFAST SPECTROSCOPY AND NEAR-FIELD OPTICAL
MICROSCOPY
G. P. Wiederrecht, G. A. Wurtz, J. S. Im, and J. Hransivaljevic
SPIE Plasmonics: Metallic Nanostructures and Their Optical Properties,
(SPIE Proceedings), N. J. Halas, Ed., SPIE, Bellingham, Vol. 5221, 2003, pp. 1-13

SUBMICRON FERROELECTRIC ELEMENTS FABRICATED BY DIRECT
ELECTRON BEAM LITHOGRAPHY
D.-J. Kim, J.-S. Im, C. Thompson, S. K. Streiffer, G. Wiederrecht, and O. Auciello
Proceedings of the Materials Research Society,
(Materials Research Society Meeting,
Boston, 2003) 748, 43-48 (2003)

OPTICAL SCATTERING FROM ISOLATED METAL NANOPARTICLES
AND ARRAYS
G. A. Wurtz, J. S. Im, S. K. Gray and G. P. Wiederrecht
J. Phys. Chem. B. 107 (51), 14191-14198 (2003)

VIBRATIONAL AUTOIONIZATION IN POLYATOMIC MOLECULES
S. T. Pratt, J. A. Bacon, and C. A. Raptis
Dissociative Recombination, S. Guberman, Ed., Kluwer, New York,
2003, pp 309-319

METAL CLUSTERS AND METALLICITY: THE PARADIGM OF MAGNESIUM
J. Jellinek and P. H. Acioli
Metal-Ligand Interactions in Molecular-, Nano-, Micro-, and Macro-Systems
in Complex Environments
, N. Russo, D. R. Salahub, and M. Witko, Eds.,
Kluwer Academic Publ., Dordrecht, 2003, pp 121-152

METADATA IN THE COLLABORATORY FOR MULTI-SCALE CHEMICAL
SCIENCE
C. Pancerella, J. D. Myers, T. C. Allison, K. Amin, S. Bittner, B. Didier, M. Frenklach,
W. H. Green, Jr., Y.-L. Ho, J. Hewson, W. Koegler, C. Lansing, D. Leahy, M. Lee,
R. McCoy, M. Minkoff, S. Nijsure, G. von Laszewski, D. Montoya, R. Pinzon,
W. Pitz, L. Rahn, B. Ruscic, K. Schuchardt, E. Stephan, A. Wagner, B. Wang,
T. Windus, L. Xu, and C. Yang
Papers Dublin Core Conf. DC-2003, Sept. 28 - Oct 2, Seattle, WA (2003)
(Full peer reviewed paper published electronically at
http://www.siderean.com/dc2003/401_Paper67.pdf
)

A GRID SERVICE-BASED ACTIVE THERMOCHEMICAL TABLE FRAMEWORK
G. von Laszewski, B. Ruscic, P. Wagstrom, S. Krishnan, K. Amin, S. Nijsure,
S. Bittner, R. Pinzon, J. C. Hewson, M. L. Morton, M. Minkoff, and A. F. Wagner
Grid Computing - GRID 2002 Proceedings. M. Parashar, Ed., Lecture Notes in
Computer Science, Vol. 2536, Springer, Berlin-Heidelberg, 2003, pp 25-38

CHARGE SEPARATION IN TITANIUM OXIDE NANOCRYSTALLINE
SEMICONDUCTORS REVEALED BY MAGNETIC RESONANCE
T. Rajh, O. G. Poluektov, and M. C. Thurnauer
Chemical Physics of Nanostructured Semiconductors, Chapter 1, A. I. Kokorin
and D. W. Bahnemann, Eds., NOVA Science Publ., Inc., The Netherlands, 2003,
pp 1-34

THE EQUILIBRIUM CONSTANTS FOR MOLECULAR HYDROGEN ABSORPTION
IN CARBON NANOTUBES BASED ON ITERATIVELY DETERMINED
NANO-CONFINED BOUND STATES
T. Lu, E. M. Goldfield, and S. K. Gray
J. Theoret. Comput. Chem. 2 (4), 621-625 (2003)

 

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