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Publications

JANUARY 2002

NONLINEAR OPTICAL DYNAMICS AND Eu3+ SPECTRAL HOLEBURNING
IN STRONTIUM BARIUM NIOBATE THIN FILM GROWN BY PULSED
LASER DEPOSITION
H. Liu, G. K. Liu, S. T. Li, J. V. Beitz and F. E. Fernandez
J. Appl. Phys. 91 (1), 129-135 (2002)

MICROSTRUCTURAL ANALYSIS OF ACTIVATED CARBONS
PREPARED FROM PAPER MILL SLUDGE BY SANS AND BET
K. C. Littrell, N. R. Khalili, M. Campbell, G. Sandí, and P. Thiyagarajan
Chem. Mater. 14, 327-333 (2002)

TRANSIENT NEGATIVE SPECIES IN SUPERCRITICAL CARBON DIOXIDE:
ELECTRONIC SPECTRA AND REACTIONS OF CO2- ANION CLUSTERS
K. Takahashi, S. Sawamura, N. M. Dimitrijevic, D. M. Bartels, and C. D. Jonah
J. Phys. Chem. A 106 (1), 108-114 (2002)

ANALYTICAL TREATMENT OF EPR SPECTRA OF WEAKLY COUPLED
SPIN-CORRELATED RADICAL PAIRS IN DISORDERED SOLIDS:
APPLICATION TO THE CHARGE-SEPARATED STATE IN TiO2
NANOPARTICLES
A. A. Dubinski, G. D. Perekhodtsev, O. G. Poluektov, T. Rajh, and M. C. Thurnauer
J. Phys. Chem. B 106 (5), 938-944 (2002)

HIGH TIME RESOLUTION Q-BAND EPR STUDY OF SEQUENTIAL
ELECTRON TRANSFER IN A TRIAD ORIENTED IN A LIQUID CRYSTAL
U. Heinen, T. Berthold, G. Kothe, E. Stavitski, T. Galili, H. Levanon,
G. Wiederrecht, and M. R. Wasielewski
J. Phys. Chem. A 106, 1933-1937 (2002)

SPECTROSCOPIC AND PHOTOCHEMICAL PROPERTIES OF
OPEN-CHAIN CAROTENOIDS
H. A. Frank, J. S. Josue, J. A. Bautista, I. van der Hoef, F. J. Jansen,
J. Lugtenburg, G. Wiederrecht, and R. L. Christensen
J. Phys. Chem. B 106, 2083-2092 (2002)

FEBRUARY 2002

IN SITU SAXS STUDIES OF THE STRUCTURAL CHANGES OF
SEPIOLITE CLAY AND SEPIOLITE-CARBON COMPOSITES
WITH TEMPERATURE
G. Sandí, R. E. Winans, S. Seifert, and K. A. Carrado
Chem. Mater. 14, 739-742 (2002)

APPLICATION OF A MULTI-ELEMENT Ge DETECTOR IN LASER
PUMP/X-RAY PROBE TIME-DOMAIN X-RAY ABSORPTION FINE
STRUCTURE
G. Jennings, W. J. H. Jager, and L. X. Chen
Rev. Sci. Instr. 73 (2), 362-368 (2002)

ADSORBATE-INDUCED ENHANCEMENT OF THE MAGNETIC
MOMENTS OF IRON CLUSTERS
M. B. Knickelbein
Chem. Phys. Lett. 353 (3-4), 221-225 (2002)

ELECTRON AND HOLE ADDUCTS FORMED IN ILLUMINATED
InP COLLOIDAL QUANTUM DOTS STUDIED BY ELECTRON
PARAMAGNETIC RESONANCE
O. I. Micic, A. J. Nozik, E. Lifshitz, T. Rajh, O. G. Poluektov, and
M. C. Thurnauer
J. Phys. Chem. B 106 (17), 4390-4395 (2002)

FLEXIBLE TRANSITION STATE THEORY FOR A VARIABLE
REACTION COORDINATE: ANALYTICAL EXPRESSIONS
AND AN APPLICATION
S. Robertson, A. F. Wagner, and D. M. Wardlaw
J. Phys. Chem. A 106 (11), 2598-2613 (2002)

ON THE ENTHALPY OF FORMATION OF HYDROXYL RADICAL
AND GAS-PHASE BOND DISSOCIATION ENERGIES OF WATER
AND HYDROXYL
B. Ruscic, A. F. Wagner, L. B. Harding, R. L. Asher, D. Feller,
D. A. Dixon, K. A. Peterson, Y. Song, X. Qian, C-Y. Ng, J. Liu,
W. Chen, and D. W. Schwenke
J. Phys. Chem. A 106 (11), 2727-2747 (2002)

IMPROVED STEREOSPECIFIC SYNTHESIS OF THE trans-ISOMERS
OF DICYCLOHEXANO-18-CROW-6 AND THE SOLID-STATE
STRUCTURE OF THE trans-syn-trans-ISOMER
K. Yamato, R. A. Bartsch, M. L. Deitz, and R. D. Rogers
Tetrahedron Lett. 43 (12), 2153-2156 (2002)

SYNTHESIS AND CHARACTERIZATION OF METAL COMPLEXES
OF P,P'-Dl[3-(TRIMETHYLSILYL)-1-PROPYL]METHYLENEDIPHOSPHONIC
ACID
D. R. McAlister, A. W. Herlinger, J. R. Ferraro, and M. L. Dietz
Syn. React. Inorg. Metalorg. Chem. 32 (2), 277-290 (2002)

STRUCTURAL CHARACTERIZATION OF ACTIVATED CARBON
ADSORBENTS PREPARED FROM PAPER MILL SLUDGE
K. C. Littrell, N. R. Khalili, M. Campbell, G. Sandí, and P. Thiyagarajan
Appl. Phys. A 74, S1403-S1405 (2002)

MARCH 2002

THE SPATIAL EXTENSION OF THE FIELD SCATTERED BY SILVER
NANOPARTICLES EXCITED NEAR RESONANCE AS OBSERVED BY
APERTURELESS NEAR-FIELD OPTICAL MICROSCOPY
G. A. Wurtz, N. M. Dimitrijevic, and G. P. Wiederrecht
Jpn. J. Appl. Phys. 41, L351-L354 (2002)

SPIN-POLARIZED NITROXIDE RADICALS IN ORGANIC GLASSES
V. F. Tarasov, I. A. Shkrob, and A. D. Trifunac
J. Phys. Chem. A 106 (19), 4838-4845 (2002)

RATE CONSTANTS, 1100 < T < 2000 K, FOR H + NO2 ® OH + NO
USING TWO SHOCK TUBE TECHNIQUES: COMPARISON OF
THEORY TO EXPERIMENT
M.-C. Su, S. S. Kumaran, K. P. Lim, J. V. Michael, A. F. Wagner,
L. B. Harding, and D.-C. Fang
J. Phys. Chem. A 106 (36), 8261-8270 (2002)

PHOTOELECTRON SPECTROSCOPY VIA THE 1 1Du STATE
OF DIACETYLENE
C. Ramos, P. R. Winter, T. S. Zwier, and S. T. Pratt
J. Chem. Phys. 116 (10), 4011-4022 (2002)

INFLUENCE OF AGGREGATION ON THE EXTRACTION OF
TRIVALENT LANTHANIDE AND ACTINIDE CATIONS BY
PURIFIED CYANEX 272, CYANEX 301, AND CYANEX 302
M. P. Jensen and A. H. Bond
Radiochim. Acta 90, 205-209 (2002)

THEORETICAL INVESTIGATION OF THE TRANSITION
STATES LEADING TO HCl ELIMINATION IN 2-CHLOROPROPENE
B. F. Parsons, L. J. Butler, and B. Ruscic
Mol. Phys. 100 (6), 865-874 (2002)

CALIBRATION PROCEDURES TO STUDY MOLECULAR
FRAGMENTATION BY ELECTRON-ION COINCIDENCES
T. Kerkau, B. Krässig, O. Schwarzkopf, H. Kossmann,
B. Kämmerling, and V. Schmidt
Nucl. Instr. and Meth. in Phys. Res. A 479 (2-3), 555-567 (2002)

FUNCTIONAL ASYMMETRY OF PHOTOSYSTEMS II D1 AND
D2 PERIPHERAL CHLOROPHYLL MUTANTS OF CHLAMYDOMONAS
REINHARDTII
J. Wang, D. Gosztola, S. V. Ruffle, C. Hemann, M. Seibert, M. R. Wasielewski,
R. Hille, T. L. Gustafson, and R. T. Sayre
Proc. Natl. Acad. Sci. 99 (6), 4091-4096 (2002)

APRIL 2002

AGGREGATION AND METAL ION EXTRACTION PROPERTIES
OF NOVEL, SILICON-SUBSTITUTED ALKYLENEDIPHOSPHONIC
ACIDS
D. R. McAlister, M. L. Dietz, R. Chiarizia, and A. W. Herlinger
Proc. of International Solvent Extraction Conference, ISEC 2002,
Eds., K. C. Sole, P. M. Cole, J. S. Preston, and D. J. Robinson,
Chris van Rensburg Publications Ltd., 2002, pp. 390-395

THERMODYNAMICS OF THE EXTRACTION OF SELECTED
METAL IONS BY DI(2-ETHYLHEXYL) ALKYLENEDIPHOSPHONIC
ACIDS
E. O. Otu and R. Chiarizia
Proc. of International Solvent Extraction Conference, ISEC 2002,
Eds., K. C. Sole, P. M. Cole, J. S. Preston, and D. J. Robinson,
Chris van Rensburg Publications Ltd., 2002, pp. 408-413

NEW INSIGHTS IN THIRD PHASE FORMATION IN THE U(VI)-HNO3,
TBP-ALKANE SYSTEM
M. P. Jensen, R. Chiarizia, J. R. Ferraro, M. Borkowski, K. L. Nash,
P. Thiyagarajan and K. C. Littrell
Proc. of International Solvent Extraction Conference, ISEC 2002,
Eds., K. C. Sole, P. M. Cole, J. S. Preston, and D. J. Robinson,
Chris van Rensburg Publications Ltd., 2002, pp. 1137-1142

RESTRICTED PHONON RELAXATION AND ANOMALOUS
THERMALIZATION OF RARE EARTH IONS IN NANOCRYSTALS
G. K. Liu, H. Z. Zhuang, and X. Y. Chen
Nano Lett. 2 (5), 535-539 (2002)

ATOMIC AND MOLECULAR PHOTOABSORPTION. ABSOLUTE
TOTAL CROSS SECTIONS
J. Berkowitz, Ed.
Academic Press, London (2002)

POTLIB 2001: A POTENTIAL ENERGY SURFACE LIBRARY
FOR CHEMICAL SYSTEMS
R. J. Duchovic, Y. L. Volobuev, G. C. Lynch, D. G. Truhlar,
T. C. Allison, A. F. Wagner, B. C. Garrett, and J. C. Corchado
Computer Phys. Comm. 144, 169-187 (2002)

AN AB INITIO STUDY OF THE IONIZATION POTENTIALS
AND f-f SPECTROSCOPY OF EUROPIUM ATOMS AND IONS
C. Naleway, M. Seth, R. Shepard, A. F. Wagner, J. L. Tilson,
W. C. Ermler, and S. R. Brozell
J. Chem. Phys. 116 (13) 5481-5493 (2002)

AN AB INITIO STUDY OF THE f-f SPECTROSCOPY OF
AMERICIUM +3
J. L. Tilson, C. Naleway, M. Seth, R. Shepard, A. F. Wagner,
and W. C. Ermler
J. Chem. Phys. 116 (13), 5494-5502 (2002)

SYNERGISM OF COBALT AND PALLADIUM IN MFI ZEOLITE
OF RELEVANCE TO NO REDUCTION WITH METHANE
B. Wen, J. Jia, S. Li, T. Liu, L. X. Chen, and W. M. H. Sachtler
Phys. Chem. Chem. Phys. 4, 1983-1989 (2002)

MAY 2002

PHOTOINDUCED CHARGE SEPARATION REACTIONS OF
J-AGGREGATES COATED ON SILVER NANOPARTICLES
J. Hranisavljevic, N. M. Dimitrijevic, G. A. Wurtz, and G. P. Wiederrecht
J. Am. Chem. Soc. 124 (17), 4536-4537 (2002)

RATE CONSTANTS FOR H + O2 + M ® HO2 + M IN SEVEN
BATH GASES
J. V. Michael, M.-C. Su, J. W. Sutherland, J. J. Carroll, and A. F. Wagner
J. Phys. Chem. A 106 (21), 5297-5313 (2002)

MODELING OF NONLINEAR VIBRATIONAL RELAXATION OF
LARGE MOLECULES IN SHOCK WAVES WITH A NONLINEAR,
TEMPERATURE-VARYING MASTER EQUATION
M. J. Davis and J. H. Kiefer
J. Chem. Phys. 116 (18), 7814-7827 (2002)

DYNAMICS OF A NONLINEAR MASTER EQUATION:
LOW-DIMENSIONAL MANIFOLDS AND THE NATURE OF
VIBRATIONAL RELAXATION
M. J. Davis
J. Chem. Phys. 116 (18), 7828-7838 (2002)

PHOTOEXCITATION OF A DIPOLE-FORBIDDEN RESONANCE
IN HELIUM
B. Krässig, E. P. Kanter, S. H. Southworth, R. Guillemin, O. Hemmers,
D. W. Lindle, R. Wehlitz, and N. L. S. Martin
Phys. Rev. Lett. 88 (20), 203002-1/203002-4 (2002)

PROTEIN CONFORMATIONS EXPLORED BY DIFFERENCE HIGH-
ANGLE SOLUTION X-RAY SCATTERING: OXIDATION STATE AND
TEMPERATURE DEPENDENT CHANGES IN CYTOCHROME C
D. M. Tiede, R. Zhang, and S. Seifert
Biochem. 41 (21), 6605-6614 (2002)

REACTION RATES OF THE HYDRATED ELECTRON WITH NO2-,
NO3- , AND HYDRONIUM IONS AS A FUNCTION OF TEMPERATURE
FROM 125 TO 380 °C
K. Takahashi, D. M. Bartels, J. A. Cline, and C. D. Jonah
Chem. Phys. Lett. 357 (5-6), 358-364 (2002)

LOW TEMPERATURE STEAM REFORMING OF METHANOL
OVER LAYERED DOUBLE HYDROXIDE-DERIVED CATALYSIS
S. R. Segal, K. B. Anderson, K. A. Carrado, and C. L. Marshall
Applied Catalysis A: General 231 (1-2), 215-226 (2002)

METAL EXTRACTION BY SILYL-SUBSTITUTED DIPHOSPHONIC
ACIDS. PART 2. EFFECT OF ALKYL BRIDGE LENGTH ON
AGGREGATION AND METAL ION EXTRACTION BEHAVIOR
D. R. McAlister, M. L. Dietz, R. Chiarizia, P. R. Zalupski, and A. W. Herlinger
Sep. Sci. Technol. 37 (10) 2289-2315 (2002)

JUNE 2002

NICKEL CLUSTERS: THE INFLUENCE OF ADSORBATES ON
MAGNETIC MOMENTS
M. B. Knickelbein
J. Chem. Phys. 116 (22), 9703-9711 (2002)

CORRELATED ELECTRONS IN THE Eu-EXCHANGED
PREYSSLER ANION [EuP5W30O110]n-
L. Soderholm, M. R. Antonio, S. Skanthakumar, and C. W. Williams
J. Am. Chem. Soc. 124 (25), 7290-7291 (2002)

OPTIMIZATION OF SENSITIVITY IN PULSED 13C NMR OF COALS
R. E. Botto
Energy&Fuels, 16 (4), 925-927 (2002)

PRODUCTION AND PRELIMINARY CHARACTERIZATION OF
A RECOMBINANT TRIHEME CYTOCHROME c7 FROM
GEOBACTER SULFURREDUCENS IN ESCHERICHIA COLI
Y. Y. Londer, P. Raj Pokkuluri, D. M. Tiede, and M. Schiffer

Biochim. Biophys. Acta 1554, 202-211 (2002)

GEOMETRIC INVESTIGATION OF ASSOCIATION/DISSOCIATION
KINETICS WITH AN APPLICATION TO THE MASTER EQUATION
FOR CH3 + CH3 ¨ C2H6
M. J. Davis and S. J. Klippenstein
J. Phys. Chem. A 106, 5860-5879 (2002)

FT-IR STUDY OF THIRD PHASE FORMATION IN THE U(VI) OR
Th(IV)/HNO3, TBP/ALKANE SYSTEMS
M. Borkowski, J. R. Ferraro, R. Chiarizia, and D. R. McAlister
Solvent Extr. and Ion Exchange 20 (3), 313-330 (2002)

CONFINEMENT EFFECTS ON PHOTODYNAMICS OF OPTICAL
CENTERS IN NANOCRYSTALS
G. K. Liu and H. Z. Zhuang
Frontiers of Science and Technology for the 21st Century:
Nanoscience and Nanotechnology in Perspective
, G. Liu and
Z. Wang, Eds., Tsinghua University Press, 2002, pp. 188-202

ANALYTIC MRCI GRADIENT FOR EXCITED STATES:
FORMALISM AND APPLICATION TO THE n-p * VALENCE-
AND n-(3s,3p) RYDBERG STATES OF FORMALDEHYDE
H. Lischka, M. Dallos, and R. Shepard
Mol. Phys. 100 (11), 1647-1658 (2002)

BERKELIUM REDOX SPECIATION
M. R. Antonio, C. W. Williams, and L. Soderholm
Radiochim. Acta 90, 851-856 (2002)

JULY 2002

THEORETICAL AND EXPERIMENTAL STUDIES OF THE
STRUCTURES OF 12-, 13- AND 14-ATOM BIMETALLIC
NICKEL/ALUMINUM CLUSTERS
E. F. Rexer, J. Jellinek, E. B. Krissinel, E. K. Parks, and S. J. Riley
J. Chem. Phys. 117 (1), 82-94 (2002)

LOCATING THE Al ATOM IN Ni14Al-Ni19Al CLUSTERS
E. K. Parks, E. F. Rexer, and S. J. Riley
J. Chem. Phys. 117 (1), 95-99 (2002)

PHOTOIONIZATION DYNAMICS OF THE B1E" STATE OF AMMONIA
S. T. Pratt
J. Chem. Phys. 117 (3), 1055-1067 (2002)

PHOTOIONIZATION OF DABCO VIA HIGH VIBRATIONAL
LEVELS OF THE S1 STATE
S. T. Pratt
Chem. Phys. Lett. 360, 406-413 (2002)

FLEXIBLE TRANSITION STATE THEORY FOR A VARIABLE
REACTION COORDINATE: DERIVATION OF CANONICAL
AND MICROCANONICAL FORMS WITH ANGULAR
MOMENTUM CONSERVATION
S. H. Robertson, D. M. Wardlaw, and A. F. Wagner
J. Chem. Phys. 117 (2), 593-605 (2002)

A QUANTUM DYNAMICS STUDY OF H2 + OH ® H2O + H
EMPLOYING THE WU-SCHATZ-LENDVAY-FANG-HARDING
POTENTIAL FUNCTION AND A FOUR-ATOM
IMPLEMENTATION OF THE REAL WAVE PACKET METHOD
E. M. Goldfield and S. K. Gray
J. Chem. Phys. 117 (4), 1604-1613 (2002)

LATTICE AND MAGNETIC PROPERTIES OF ErVO4 AND ErPO4
Y. Hirano, S. Skanthakumar, C.-K. Loong, N. Wakabayashi,
and L. A. Boatner
Phys. Rev. B 66, 024424/1-024424/7 (2002)

MEASUREMENTS OF THE ELECTRON-IMPACT DOUBLE-TO-
SINGLE IONIZATION RATIO USING TRAPPED LITHIUM
M.-T. Huang, L. Zhang, S. Hasegawa, S. H. Southworth, and L. Young
Phys. Rev. A 66, 012715/1-012715/7 (2002)

OPTICAL PRODUCTION OF METASTABLE KRYPTON
L. Young, D. Yang, and R. W. Dunford
J. Phys. B: At. Mol. Opt. Phys. 35, 2985-2992 (2002)

QUASICLASSICAL TRAJECTORY STUDY OF ENERGY AND
ANGULAR DISTRIBUTIONS FOR THE H + CO2 ® OH + CO REACTION
D. Troya, M. J. Lakin, G. C. Schatz, L. B. Harding, and M. Gonzalez
J. Phys. Chem. B 106, 8148-8160 (2002)

STEREOSPECIFIC SYNTHESIS OF CIS-TRANS-DICYCLOHEXANO-18-
CROWN-6 AND K+ COMPLEXATION BY THE FIVE DICYCLOHEXANO-
18-CROWN-6 ISOMERS
K. Yamoto, F. A. Fernandex, H. F. Vogel, R. A. Bartsch, and M. L. Dietz
Tetrahedron Lett. 43, 5229-5232 (2002)

AUGUST 2002

COMPARISON OF COVALENCY IN THE COMPLEXES OF
TRIVALENT ACTINIDE AND LANTHANIDE CATIONS
M. P. Jensen and A. H. Bond
J. Am. Chem. Soc. 124 (33), 9870-9877 (2002)

RAPID EXCITED-STATE STRUCTURAL REORGANIZATION
CAPTURED BY PULSED X-RAYS
L. X. Chen, G. Jennings, T. Liu, D. J. Gosztola, J. P. Hessler,
D. V. Scaltrito, and G. J. Meyer
J. Am. Chem. Soc. 124 (36), 10861-10867 (2002)

ELECTRONIC STRUCTURE OF THE P700 SPECIAL PAIR FROM
HIGH-FREQUENCY ELECTRON PARAMAGNETIC RESONANCE
SPECTROSCOPY
O. G. Poluektov, L. M. Utschig, S. L. Schlesselman, K. V. Lakshmi,
G. W. Brudvig, G. Kothe, and M. C. Thurnauer
J. Phys. Chem. B 106 (35), 8911-8916 (2002)

CHARGE ORDER AND CRYSTAL STRUCTURE BELOW THE
FIRST-ORDER "METAL-INSULATOR" TRANSITION IN Yb4As3
U. Staub, B. D. Patterson, C. Schulze-Briese, F. Fauth, M. Shi,
L. Soderholm, G. B. M. Vaughan, E. Dooryhee, J. O. Cross and A. Ochiai
Physica B 318, 284-288 (2002)

SMALL-ANGLE X-RAY SCATTERING STUDIES OF THE
MANGANESE STABILIZING SUBUNIT IN PHOTOSYSTEM II
B. Svensson, D. M. Tiede, and B. A. Barry
J. Phys. Chem. B 106 (34), 8485-8488 (2002)

Fe2O3 NANOPARTICLE STRUCTURES INVESTIGATED BY X-RAY
ABSORPTION NEAR EDGE STRUCTURE, SURFACE MODIFICATIONS,
AND MODEL CALCULATIONS
L. X. Chen, T. Liu, M. C. Thurnauer, R. Csencsits, and T. Rajh
J. Phys. Chem. B 106 (34), 8539-8536 (2002)

STRUCTURE AND CHARGE TRANSFER DYNAMICS OF URANYL
IONS IN BORON OXIDE AND BOROSILICATE GLASSES
G. K. Liu, H. Z. Zhuang, J. V. Beitz, C. M. Williams, and V. S. Vikhnin
Physics of the Solid State, 44 (8), 1433-1439 (2002)

REDUCING I/O COSTS FOR THE EIGENVALUE PROCEDURE IN
LARGE-SCALE CONFIGURATION INTERACTION CALCULATIONS
R. Shepard, I. Shavitt, and H. Lischka
J. Comput. Chem. 23 (11), 1121-1125 (2002)

QUANTUM CHEMICAL STUDIES OF Li+ CATION BINDING
TO POLYALKYLOXIDES
P. C. Redfern and L. A. Curtiss
J. Power Sources 110 (2), 401-405 (2002)

SYNTHESIS OF CHIRAL TRANS-ANTI-TRANS-ISOMERS OF
DICYCLOHEXANO-18-CROWN-6 VIA NA ENZYMATIC REACTION
AND THE SOLID-STATE STRUCTURE OF ONE ENANTIOMER
K. Yamoto, R. A. Bartsch, G. A. Broker, R. D. Rogers, M. L. Dietz
Tetrahedron Lett. 43, 5805-5805 (2002)

SEPTEMBER 2002

IDENTIFICATION OF HIGHLY ACTIVE IRON SITES IN N2O-ACTIVATED
Fe/MFI
J. Jia, Q. Sun, B. Wen, L. X. Chen, and W. M. H. Sachtler
Catalysis Lett. 82 (1-2) 7-11 (2002)

LITHIUM-BENZENE SANDWICH COMPOUNDS: A QUANTUM
CHEMICAL STUDY
J. M. Vollmer, A. K. Kandalam, and L. A. Curtiss
J. Phys. Chem. A 106, 9533-9537 (2002)

SURFACE RESTRUCTURING OF NANOPARTICLES: AN EFFICIENT
ROUTE FOR LIGAND-METAL OXIDE CROSSTALK
T. Rajh, L. X. Chen, K. Lukas, T. Liu, M. C. Thurnauer, and D. M. Tiede
J. Phys. Chem. B 106 (41), 10543-10552 (2002)

4f ELECTRON CORRELATIONS AND LATTICE PROPERTIES OF
VALANCE UNSTABLE CeNi
V. N. Lazukov, E. V. Nefedova, V. V. Sikolenko, U. Staub, P. A. Alekseev,
K. Nemkovskii, S. Pradervand, I. Sadikov, L. Soderholm, and N. Tiden
Fizika Metallov I Metallovendenie 93, 61-65 (2002)

EXTRACTION OF ALKALINE EARTH AND ACTINIDE CATIONS BY
MIXTURES OF DI(2-ETHYLHEXYL) ALKYLENEDIPHOSPHONIC
ACIDS AND NEUTRAL SYNERGISTS
D. R. McAlister, R. Chiarizia, M. L. Dietz, A. W. Herlinger, and P. R. Zalupski
Solvent Extr. and Ion Exchange 20 (4&5), 447-469 (2002)

EXAFS INVESTIGATIONS OF THE MECHANISM OF FACILITATED
ION TRANSFER INTO A ROOM-TEMPERATURE IONIC LIQUID
M. P. Jensen, J. A. Dzielawa, P. Rickert, and M. L. Dietz
J. Am. Chem. Soc. Comm. 124 (36), 10664-10665 (2002)

INTERACTION OF ATOMIC SYSTEMS WITH X-RAY FREE-ELECTRON
LASERS
M. A. Kornberg, A. L. Godunov, S. Itza-Ortiz, D. L. Ederer, J. H. McGuire,
and L. Young
J. Synchrotron Rad. 9 (5), 298-303 (2002)

OCTOBER 2002

ELECTRON LOCALIZATION IN LIQUID ACETONITRILE
I. A. Shkrob and M. C. Sauer, Jr.
J. Phys. Chem. A 106 (39), 9120-9131 (2002)

ELECTRON LOCALIZATION IN SOLID ACETONITRILE
I. A. Shkrob, K. Takeda, and F. Williams
J. Phys. Chem. A 106 (39), 9132-9144 (2002)

ANALYSIS OF GAS-PHASE CLUSTERS MADE FROM LASER-VAPORIZED
ICOSAHEDRAL Al-Pd-Mn
J. A. Barrow, D. J. Sordelet, M. F. Besser, C. J. Jenks, P. A. Thiel,
E. F. Rexer, and S. J. Riley
J. Phys. Chem. A 106 (40), 9204-9208 (2002)

EXCITED STATE MOELCULAR STRUCTURE DETERMINATION IN
DISORDERED MEDIA USING LASER PUMP/X-RAY PROBE
TIME-DOMAIN X-RAY ABSORPTION SPECTROSCOPY
L. X. Chen
Invited article, Faraday Discussion 122, 315-329 (2002)

FLAT METAL CONDUCTOR PRINCIPAL DETECTOR ELEMENT
FOR NMR ANALYSIS OF A SAMPLE
R. E. Gerald, II, R. J. Klingler, and R. W. Rathke
U.S. Patent No. 6,469,507 B1, issued October 22, 2002

LASER-INITIATED CHEMICAL REACTIONS IN CARBON
SUSPENSIONS
T. E. McGrath, G. J. Diebold, D. M. Bartels, and R. A. Crowell
J. Phys. Chem. A 106 (43), 10072-10078 (2002)

TOWARD HARTREE-FOCK AND DENSITY FUNCTIONAL
COMPLETE BASIS-SET-PREDICTED NMR PARAMETERS
T. Kupka, B. Ruscic, and R. E. Botto
J. Phys. Chem. A 106 (43), 10396-10407 (2002)

MAGNESIUM CLUSTERS: STRUCTURAL AND ELECTRONIC
PROPERTIES AND THE SIZE-INDUCED NONMETAL-TO-METAL
TRANSITION
J. Jellinek and P. H. Acioli
J. Phys. Chem. A 106 (45), 10919-10925 (2002)

LYOTROPIC LIQUID-CRYSTALLINE GEL FORMATION IN A
ROOM-TEMPERATURE IONIC LIQUID
M. A. Firestone, J. A. Dzielawa, P. Zapol, L. A. Curtiss,
S. Seifert, and M. L. Dietz
Langmuir 18 (20), 7258-7260 (2002)

CHEMICAL REACTION DYNAMICS WITH REAL WAVE PACKETS
S. K. Gray
J. Theoretical and Computational Chem. 1 (2), 373-379 (2002)

LITHIUM-BENZENE SANDWICH COMPOUNDS: A QUANTUM
CHEMICAL STUDY
J. M. Vollmer, A. K. Kandalam, and L. A. Curtiss
J. Phys. Chem. A 106 (41), 9533-9537 (2002)

NOVEMBER 2002

ELECTRON BINDING ENERGIES OF ANIONIC MAGNESIUM
CLUSTERS AND THE NONMETAL-TO-METAL TRANSITION
P. H. Acioli and J. Jellinek
Phys. Rev. Lett. 89 (21), 213402/1-213402/4 (2002)

FEATURES OF THE THERMODYNAMICS OF TWO-PHASE
DISTRIBUTION REACTIONS OF AMERICIUM(III) AND
EUROPIUM(III) NITRATES INTO SOLUTIONS OF
2,6-BIS[(BIS(2-ETHYLHEXYL)PHOSPHINO)METHYL]
PYRIDINE N,P,P'-TRIOXIDE
K. L. Nash, C. Lavallette, M. Borkowski, R. T. Paine, and X. Gan
Inorg. Chem. 41 (22), 5849-5858 (2002)

ACTINIDE COMPLEXES IN HYDROMETALLURGICAL
SEPARATIONS: OBSERVATIONS ON COMPLEXATION AND
SOLVATION
K. L. Nash, J. C. Sullivan, J. V. Muntean, R. Chiarizia,
M. Borkowski, and M. P. Jensen
J. Nucl. Sci. Technol., Suppl. 3, 240-245 (2002)

SOLUTION PHASE COORDINATION CHEMISTRY OF TRIVALENT
LANTHANIDE AND ACTINIDE CATIONS WITH BIS(2,4,4-
TRIMETHYLPENTYL)DITHIOPHOSPHINIC ACID
M. P. Jensen, A. H. Bond, P. G. Rickert, and K. L. Nash
J. Nucl. Sci. Technol., Suppl. 3, 255-258 (2002)

ACTINIDES IN ALKALINE MEDIA: DISSOLUTION, MINERAL
ASSOCIATIONS, AND SPECIATION IN HANFORD WASTE
TANK SLUDGE SIMULANTS
K. L. Nash, A. V. Gelis, M. P. Jensen, A. H. Bond, J. C. Sullivan,
L. Rao, and A. Garnov
J. Nucl. Sci. Technol., Suppl. 3, 512-515 (2002)

THE SECONDARY RESPONSE DISTORTION IN TRANSIENT
ABSORPTION SPECTROSCOPY
J. A. Cline, C. D. Jonah, and D. M. Bartels
Rev. Sci. Instr. 73 (11), 3908-3915 (2002)

THE EXTRACTION OF AMERICIUM AND STRONTIUM BY
P,P'-DI(2-ETHYLHEXYL) BENZENE-1,2-DIPHOSPHONIC ACID
E. O. Otu, R. Chiarizia, P. G. Rickert, and K. L. Nash
Solvent Extr. and Ion Exch. 20 (6), 607-632 (2002)

XAFS STUDY OF ACTINIDE COORDINATION STRUCTURE IN
Np(IV)-FULVATES
M. A. Denecke, C. M. Marquardt, J. Rothe, K. Dardenne, and M. P. Jensen
J. Nucl. Sci. and Tech. Suppl. 3, 410-413 (2002)

DECEMBER 2002

IN SITU Ru LII AND LIII EDGE X-RAY ABSORPTION NEAR EDGE
STRUCTURE OF ELECTRODEPOSITED RUTHENIUM DIOXIDE
FILMS
I. C. Stefan, Y. Mo, M. R. Antonio, and D. A. Scherson
J. Phys. Chem. B 106 (48), 12373-12375 (2002)

IONIC AND NEUTRAL SPECIES IN PULSE RADIOLYSIS OF
SUPERCRITICAL CO2. 1. TRANSIENT ABSORPTION SPECTROSCOPY,
ELECTRIC FIELD EFFECT, AND CHARGE DYNAMICS
I. A. Shkrob, M. C. Sauer, Jr., C. D. Jonah, and K. Takahashi
J. Phys. Chem. A. 106 (49), 11855-11870 (2002)

IONIC SPECIES IN PULSE RADIOLYSIS OF SUPERCRITICAL CARBON
DIOXIDE. 2. AB INITIO STUDIES ON THE STRUCTURE AND
OPTICAL PROPERTIES OF (CO2)n+, (CO2)2-, AND CO3- IONS
I. A. Shkrob
J. Phys. Chem. A. 106 (49), 11871-11881 (2002)

PULSE RADIOLYSIS OF SUPERCRITICAL WATER. 1. REACTIONS
BETWEEN HYDROPHOBIC AND ANIONIC SPECIES
J. Cline, K. Takahashi, T. W. Marin, C. D. Jonah, and D. M. Bartels
J. Phys. Chem. A 106 (51) 12260-12269 (2002)

PULSE RADIOLYSIS OF SUPERCRITICAL WATER. 2. REACTION
OF NITROBENZENE WITH HYDRATED ELECTRONS AND
HYDROXYL RADICALS
T. W. Marin, J. A. Cline, K. Takahashi, D. M. Bartels, and C. D. Jonah
J. Phys. Chem. A 106 (51), 12270-12279 (2002)

C2D5I DISSOCIATION AND D + CH3 ® CH2D + H AT HIGH
TEMPERATURE: IMPLICATIONS TO THE HIGH-PRESSURE RATE
CONSTANT FOR CH4 DISSOCIATION
M.-C. Su and J. V. Michael
Proc. of the Combustion Inst. 29, 1219-1227 (2002)

CRYSTALLIZATION AND TEXTURAL POROSITY OF SYNTHETIC
CLAY MINERALS
K. A. Carrado, R. Csencsits, P. Thiyagarajan, S. Seifert, S. M. Macha,
and J. S. Harwood
J. Mater. Chem. 12 (11), 3228-3237 (2002)

RESOLVING THE MYSTERY OF PROMPT CO2: THE HCCO + O2 REACTION
S. J. Klippenstein, J. A. Miller, and L. B. Harding
Proceedings of the Combustion Institute, 29, 1209-1217 (2002)

A THEORETICAL ANALYSIS OF THE CH3 + H REACTION: ISOTOPE
EFFECTS, THE HIGH PRESSURE LIMIT, AND TRANSITION STATE
RECROSSING
S. J. Klippenstein, Y. Georgievskii, and L. B. Harding
Proceedings of the Combustion Institute, 29, 1229-1236 (2002)

 

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