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Publications

JANUARY 2001

NMR OF LAYERED SILICATES IN ARGONNE COALS AND
GEOCHEMICAL IMPLICATIONS
A. R. Thompson and R. E. Botto
Energy & Fuels 15 (1), 176-181 (2001)

DIRECT OBSERVATION OF 1-DIMENSIONAL CHARGE ORDER
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, and A. Ochiai
Europhys. Lett. 53
(1), 72-78 (2001)

GAUSSIAN-3X (G3X) THEORY: USE OF IMPROVED GEOMETRIES,
ZERO-POINT ENERGIES, AND HARTREE-FOCK BASIS SETS
L. A. Curtiss, P. C. Redfern, K. Raghavachari, and J. A. Pople
J. Chem. Phys. 114 (1), 108-117 (2001)

LOW-ENERGY MAGNETIC RESPONSE AND Yb VALENCE IN THE
KONDO INSULATOR YbB12
P. A. Alekseev, E. V. Nefeodova, U. Staub, J.-M. Mignot, V. N. Lazukov,
I. P. Sadikov, L. Soderholm, S. R. Wasserman, Yu. B. Paderno,
N. Yu. Shitsevalova, and A. Murani
Phys. Rev. B 63, 064411-1-064411-6 (2001)

ANALYSIS OF GAS PHASE CLUSTERS MADE FROM
LASER-VAPORIZED ICOSAHEDRAL Al-Pd-Mn
J. A. Barrow, E. F. Rexer, D. J. Sordelet, M. F. Besser, C. J. Jenks,
S. J. Riley, and P. A. Thiel
Proceedings, Fall Meeting of the Materials Research Society,
Boston, MA, November 27-December 1, 2000

GEOMETRY OPTIMIZATION OF EXCITED VALENCE STATES OF
FORMALDEHYDE USING ANALYTICAL MULTIREFERENCE
CONFIGURATION INTERACTION SINGLES AND DOUBLES AND
MULTIREFERENCE AVERAGED QUADRATIC COUPLED-CLUSTER
GRADIENTS, AND THE CONICAL INTERSECTION FORMED BY
THE 1 1B1(s-p*) AND 2 1A1(p-p*) STATES
M. Dallos, T. Muller, H. Lischka, and R. Shepard
J. Chem. Phys. 114 (2), 746-757 (2001)

EVIDENCE FOR A LOWER ENTHALPY OF FORMATION OF
HYDROXY RADICAL AND A LOWER GAS-PHASE BOND
DISSOCIATION ENERGY OF WATER
B. Ruscic, D. Feller, D. A. Dixon, K. R. Peterson, L. B. Harding,
R. L. Asher, and A. F. Wagner
J. Phys. Chem. A 105 (1), 1-4 (2001)

RADIATION DAMAGE OF ALKOXY AND SILOXY LIGANDS
BONDED TO SILICA
D. W. Werst and E. I. Vinokur
J. Phys. Chem. B 105, 1587-1593 (2001)

INTERACTIONS OF Np(V) AND U(VI) WITH DIPICOLINIC ACID
J. I. Friese, K. L. Nash, M. P. Jensen, and J. C. Sullivan
Radiochim. Acta 89, 35-41 (2001)

RECENT ADVANCES IN THE DEVELOPMENT OF EXTRACTION
CHROMATOGRAPHIC MATERIALS FOR THE ISOLATION OF
RADIONUCLIDES FROM BIOLOGICAL AND ENVIRONMENTAL SAMPLES
M. L. Dietz, E. P. Horwitz, and R. Chiarizia
Solvent Extraction for the 21st Century, M. Cox, M. Hidalgo, and
M. Valiente, Eds., Society of Chemical Industry, London, Vol. 1, 53-57 (2001)

SYNERGISTIC EFFECTS IN THE EXTRACTION OF METAL IONS
BY MIXTURES OF DIALKYL-PHOSPHORIC ACIDS AND
SUBSTITUTED CROWN ETHERS
R. Chiarizia, M. L. Dietz, A. H. Bond, V. J. Huber, A. W. Herlinger,
and B. P. Hay

Solvent Extraction for the 21st Century, M. Cox, M. Hidalgo, and
M. Valiente, Eds., Society of Chemical Industry, London, Vol. 1, 299-303 (2001)

STUDIES OF THE EXTRACTION THERMODYAMICS OF f-ELEMENTS
K. L. Nash
Solvent Extraction for the 21st Century, M. Cox, M. Hidalgo, and
M. Valiente, Eds., Society of Chemical Industry, London, Vol. 1, 555-559 (2001)

SOLVENT EXTRACTION SEPARATIONS OF TRIVALENT LANTHANIDE
AND ACTINIDE IONS USING AN AQUEOUS AMINOMETHANE-
DIPHOSPHONIC ACID
M. P. Jensen and K. L. Nash
Solvent Extraction for the 21st Century, M. Cox, M. Hidalgo, and
M. Valiente, Eds., Society of Chemical Industry, London, Vol. 2, 1089-1093 (2001)

SOLVENT EXTRACTION BY DIALKYL-SUBSTITUTED DISPHOSPHONIC
ACIDS IN A DEPOLYMERIZING DILUENT. I. ALKALINE EARTH CATIONS
R. Chiarizia, D. R. McAlister, A. W. Herlinger, and A. H. Bond
Solvent Extr. and Ion Exch. 19 (2) 261-276 (2001)

QUANTUM MECHANICAL MODEL OF LOCALIZED ELECTRONS ON
THE SURFACE OF POLYMER NANOSPHERES
S. K. Gray, B. G. Sumpter, D. W. Noid, and M. D. Barnes
Chem. Phys. Lett. 333 (3-4), 308-313 (2001)

BEAM OF METASTABLE KRYPTON ATOMS EXTRACTED FROM A
rf-DRIVEN DISCHARGE
C. Y. Chen, K. Bailey, Y. M. Li, T. P. O'Connor, Z.-T. Liu, X. Du,
L. Young and G. Winkler
Rev. Sci. Instr. 72 (1), 271-272 (2001)

NEPTUNIUM REDOX SPECIATION
M. R. Antonio, L. Soderholm, C. W. Williams, J-P. Blaudeau, and B. E. Bursten
Radiochim. Acta 89, 17-25 (2001)

FEBRUARY 2001

THE STRUCTURE OF Ni46, Ni47, AND Ni48
E. K. Parks, K. P. Kerns, and S. R. Riley
J. Chem. Phys. 114 (5), 2228-2236 (2001)

EFFECTS OF CHEMICAL MODIFICATIONS ON PHOTOPHYSICS AND
EXCITON DYNAMICS OF p-CONJUGATION ATTENUATED AND
METAL-CHELATED PHOTOCONDUCTING POLYMERS
L. X. Chen, W. J. H. Jäger, D. J. Gosztola, M. P. Niemczyk, and M. R. Wasielewski
Synthetic Metals 116, 229-234 (2001)

RADIOLYTICALLY INDUCED FORMATION AND OPTICAL
ABSORPTION SPECTRA OF COLLOIDAL SILVER NANOPARTICLES
IN SUPERCRITICAL ETHANE
N. M. Dimitrijevic, D. Bartels, C. D. Jonah, K. Takahashi, and T. Rajh
J. Phys. Chem. 105, 954-959 (2001)

NUCLEAR MAGNETIC RESONANCE DETECTOR USED FOR
REDUCING PROBE RINGING
L. Nunez, R. E. Gerald, and J. W. Rathke
Patent No. 6,191,583 - issued February 2001

ROTATIONAL EXCHANGE GRADIENT IMAGER FOR IN SITU
MAGNETIC RESONANCE ANALYSIS IN ULTRACENTRIFUGE
SEDIMENTATION OF BIOLOGICAL MATERIALS AND RHEOLOGY
INVESTIGATIONS OF SOFT MATTER: THE INVENTION OF A NEW DEVICE
R. E. Gerald, R. J. Klingler, and J. W. Rathke
Invention Report No. ANL-IN-01-075 (2001)

QUANTUM MECHANICAL CALCULATION OF REACTION
PROBABILITIES AND BRANCHING RATIOS FOR THE O(1D) + HD ®
OH(OD) + D(H) REACTION ON THE X1A' AND 11A" ADIABATIC
POTENTIAL ENERGY SURFACES
M. Hankel, G. G. Balint-Kurti, and S. K. Gray
J. Phys. Chem. A. 105 (11), 2330-2339 (2001)

ACTINIDE PARTITIONING - A REVIEW
J. N. Mathur, M. S. Murali, and K. L. Nash
Solvent Extr. and Ion Exch. 19 (3), 357-390 (2001)

NEAR-THRESHOLD PHOTOIONIZATION OF HYDROGENLIKE
URANIUM STUDIED IN ION-ATOM COLLISIONS VIA THE
TIME-REVERSED PROCESS
Th. Stohlker, X. Ma, T. Ludziejewski, H. F. Beyer, F. Bosch,
O. Brinzanescu, R. W. Dunford, J. Eichler, S. Hagmann, A. Ichihara,
C. Kozhuharov, A. Kramer, D. Liesen, P. H. Mokler, Z. Stachura,
P. Swiat and A. Warczak
Phys. Rev. Lett. 86 (6), 983-986 (2001)

STRONG EVIDENCE FOR ENHANCED MULTIPLE ELECTRON CAPTURE
FROM SURFACES IN 46 MeV/u Pb81+ COLLISIONS WITH THIN
CARBON FOILS
H. Brauning, P. H. Mokler, D. Liesen, F. Bosch, B. Franzke, A. Kramer,
C. Kozhuharov, T. Ludziejewski, X. Ma, F. Nolden, M. Steck, Th. Stohlker,
R. W. Dunford, E. P. Kanter, G. Bednarz, A. Warczak, Z. Stachura,
L. Tribedi, T. Kambara, D. Dauvergne, R. Kirsch, and C. Cohen
Phys. Rev. Lett. 86 (6), 991-994 (2001)

SYNCHROTRON X-RADIATION STUDY OF ILLITIC CLAYS FROM THE
CIGAR LAKE URANIUM DEPOSIT, NORTHERN SASKATCHEWAN
J. Percival, S. Skanthakumar, L. Soderholm, P. C. Burns, and A. Locock
Summary of Investigations 2000, Vol. 2, Saskatchewan Geological Survey,
Sask. Energy Mines, Misc. Rep. 2000-4.2 173-177 (2001)

SPECIATION OF THE ACTINIDE HUMATE COMPLEXATION BY XAFS
M. A. Denecke, K. Dardenne, C. M. Marquardt, J. Rothe, and M. P. Jensen
Proceedings of the Speciation, Techniques and Facilities for Radioactive
Materials of Synchrotron Light Sources Workshop
, Grenoble, France,
September 10-12, 2000, pp. 93-104 (2001)

MARCH 2001

CONSTRUCTION OF REPRODUCING KERNEL HILBER SPACE
POTENTIAL ENERGY SURFACES FOR THE 1 A" AND 1 A' STATES
OF THE REACTION N(2D)+H2
T. Hollebeek, T-S. Ho, H. Rabitz and L. B. Harding
J. Chem. Phys. 114 (9), 3945-3948 (2001)

STRUCTURE OF THE AMBIENT TEMPERATURE ALKALI METAL
MOLTEN SALT AlCl3/LiSCN
Y-C. Lee, D. L. Price, L. A. Curtiss, M. A. Ratner and D. F. Shriver
J. Chem. Phys. 114 (10), 4591-4594 (2001)

MICROEMULSIONS OF WATER IN SUPERCRITICAL CARBON
DIOXIDE: AN IN-SITU NMR INVESTIGATION OF MICELLE FORMATION
AND STRUCTURE
D. E. Fremgen, R. E. Gerald, E. S. Smotkin, R. J. Klingler, and J. W. Rathke
J. Supercrit. Fluids 19, 287-298 (2001)

HIGHLY EXCITED BOUND AND LOW-LYING RESONANCE STATES
OF H2O
S. K. Gray and E. M. Goldfield
J. Phys. Chem. A. 105 (12), 2634-2641 (2001)

RADIATION CHEMISTRY OF ALTERNATIVE FUEL OXYGENATES:
SUBSTITUTED ETHERS
S. P. Mezyk, W. J. Cooper, D. M. Bartels, K. E. O'Shea, and T. Wu
J. Phys. Chem. A 105, 3521-3526 (2001)

COMMENT ON "EVIDENCE FOR THE SOLVATION OF HYDROGEN
ATOMS BY WATER"
E. Roduner, P. W. Percival and D. M. Bartels
Magn. Res. Chem. 39, 654 (2001)

COORDINATION OF RARE-EARTH ELEMENTS IN COMPLEXES WITH
MONOVACANT WELLS-DAWSON POLYOXOANIONS
Q-H. Luo, R. C. Howell, M. Dankova, J. Bartis, C. W. Williams, W. DeW Horrocks, Jr.,
V. G. Young, Jr., A. L. Rheingold, L. C. Francesconi, and M. R. Antonio
Inorg. Chem. 40, 1894-1901 (2001)

SOLVENT EXTRACTION BY DIALKYL-SUBSTITUTED DIPHOSPHONIC
ACIDS IN A DEPOLYMERIZING DILUENT. II. Fe(III) AND ACTINIDE IONS
R. Chiarizia, D. R. McAlister, and A. W. Herlinger
Solvent Extr. and Ion Exch. 19 (3) 415-440 (2001)

IMPROVED CONDITIONS FOR THE ADDITION OF ALKOXIDES TO
DI(ETHYLENEGLYCOL) DI-p-TOSYLATE: APPLICATION TO THE
STEREOSPECIFIC SYNTHESIS OF THE TRANS-ISOMERS OF
DICYCLOHEXANO-18-CROWN-6
V. J. Huber and M. L. Dietz
Tetrahedron Lett. 42, 2945-2948 (2001)

MULTIPLE ELECTRON CAPTURE BY 46 MeV/u Pb81+ IONS
FROM SOLID TARGETS
H. Bräuning, P. H. Mokler, D. Liesen, F. Bosch, B. Franzke, A. Krämer,
C. Kozhuharov, T. Ludziejewski, X. Ma, F. Nolden, M. Steck,
Th. Stöhlker, R. W. Dunford, E. P. Kanter, G. Bednarz, A. Warczak,
Z. Stachura, L. Tribedi, T. Kambara, D. Dauvergne, R. Kirsch, and
C. Cohen
Physica Scripta. T92, 43-46 (2001)

DOUBLE ELECTRON CAPTURE IN RELATIVISTIC U92+ COLLISIONS
OBSERVED AT THE ESR GAS-JET TARGET
C. Bednarz, A. Warczak, P. Swiat, Th. Stöhlker, H. Beyer, F. Bosch,
R. W. Dunford, S. Hagmann, E. P. Kanter, C. Kozhuharov, A. Krämer,
D. Liesen, T. Ludziejewski, X. Ma, P. H. Mokler, and Z. Stachura
Physica Scripta. T92, 429-431 (2001)

RADIATIVE ELECTRON CAPTURE STUDIED FOR BARE,
DECELERATED URANIUM IONS
Th. Stöhlker, X. Ma, T. Ludziejewski, H. F. Beyer, F. Bosch,
O. Brinzanescu, R. W. Dunford, J. Eichler, S. Hagmann, A. Ichihara,
C. Kozhuharov, A. Krämer, D. Liesen, P. H. Mokler, Z. Stachura,
P. Swiat, and A. Warczak
Physica Scripta. T92, 432-434 (2001)

APRIL 2001

CAPTURING A PHOTOEXCITED MOLECULAR STRUCTURE THROUGH
TIME-DOMAIN X-RAY ABSORPTION FINE STRUCTURE
L. X. Chen, W. J. H. Jäger, G. Jennings, D. J. Gosztola, A. Munkholm, and
J. P. Hessler
Science 292, 262-264 (2001)

HYDROGEN-BOND-MEDIATED PHOTOINDUCED ELECTRON-TRANSFER:
NOVEL DIMETHYLANILINE-ANTHRACENE ENSEMBLES FORMED VIA
WATSON-CRICK BASE-PAIRING
J. L. Sessler, M. Sathiosatham, C. T. Brown, Timothy A. Rhodes and G. Wiederrecht
J. Am. Chem. Soc. 123, 3655-3660 (2001)

STRUCTURE OF THE P+700A-1 RADICAL PAIR INTERMEDIATE IN
PHOTOSYSTEM I BY HIGH TIME RESOLUTION MULTIFREQUENCY
ELECTRON PARAMAGNETIC RESONANCE: ANALYSIS OF QUANTUM
BEAT OSCILLATIONS
G. Link, T. Berthold, M. Bechtold, J-U. Weidner, E. Ohmes, J. Tang,
O. Poluektov, L. Utschig, S. L. Schlesselman, M. C. Thurnauer and G. Kothe
J. Am. Chem. Soc. 123, 4211-4222 (2001)

THE COORDINATION GEOMETRY OF Np(VII) IN ALKALINE SOLUTION
C. W. Williams, J.-P. Blaudeau, J. C. Sullivan, M. R. Antonio, B. Bursten,
and L. Soderholm
J. Am. Chem. Soc. 123, 4346-4347 (2001)

CHARACTERIZATION OF MONTMORILLONITE SURFACES AFTER
MODIFICATION BY ORGANOSILANE
K. Song and G. Sandí
Clays and Clay Minerals 49 (2), 119-125 (2001)

Cu2+ SITE IN PHOTOSYNTHETIC BACTERIAL REACTION CENTERS
FROM Rhodobacter sphaeroides, Rhodobacter capsulatus, AND
Rhodopseudomonas viridis
L. M. Utschig, O. Poluektov, S. L. Schlesselman, M. C. Thurnauer, and
D. M. Tiede
Biochem. 40, 6132-6141 (2001)

METAL ION COORDINATION STUDIES ON A SILICA-BASED
ION EXCHANGE RESIN BEFORE AND AFTER HEATING
J. V. Beitz and C. W. Williams
Solvent Extr. and Ion Exch. 19 (4), 699-723 (2001)

CORRECTIONS TO THE USUAL X-RAY SCATTERING FACTORS IN
RARE GASES: EXPERIMENT AND THEORY
L. Young, R. W. Dunford, E. P. Kanter, B. Krässig, S. H. Southworth,
R. A. Bonham, P. Lykos, C. Morong, A. Timm, J. P. J. Carney, and R. H. Pratt
Phys. Rev. A 63, 052718-1 - 052718-10 (2001)

Rh(III) COMPLEXES OF SINGLY AND DOUBLE REDUCED
PHTHALOCYANINE LIGANDS GENERATED BY CHEMICAL AND
ELECTROCHEMICAL REDUCTION
M. J. Chen, R. J. Klingler, and J. W. Rathke
J. Porphyrins Phthalocyanines 5, 442-448 (2001)

DIMERIC AGGREGATES OF FIVE-COORDINATED METHYL
(PHTHALOCYANINATO)Rh(III): 1H NMR EVIDENCE FOR
STAGGERED AND SLIPPED COFACIAL DIMERS
M. J. Chen and J. W. Rathke
J. Porphyrins Phthalocyanines 5, 528-536 (2001)

INTERFACES, PHENOMENA, AND NANOSTRUCTURES IN
LITHIUM BATTERIES

A. R. Landgrebe and R. J. Klingler, Eds.
Vol. 2000-36, Electrochemical Society Inc., Pennington, NJ (2001)

IN SITU NUCLEAR MAGNETIC RESONANCE INVESTIGATIONS
OF LITHIUM IONS IN CARBON ELECTRODE MATERIALS
USING A NOVEL DETECTOR
R. E. Gerald, II, J. Sanchez, C. S. Johnson, R. J. Klingler and J. W. Rathke
J. Phys.: Condens. Matter 13 , 8269-8285 (2001)

HIGH-LEVEL MULTIREFERENCE METHODS IN THE QUANTUM-
CHEMISTRY PROGRAM SYSTEM COLUMBUS: ANALYTIC
MR-CISD AND MR-AQCC GRADIENTS AND MR-AQCC-LRT FOR
EXCITED STATES, GUGA SPIN-ORBIT CI, AND PARALLEL CI
H. Lischka, R.Shepard, R. M. Pitzer, I. Shavitt, M. Dallos,
T. Muller, P. G. Szalay, M. Seth, G. S. Kedziora, S. Yabushita,
and Z. Zhang
Phys. Chem. Phys. Chem. 3, 664-673 (2001)

SOLVATION AND KINETIC ISOTOPE EFFECTS IN H AND D
ABSTRACTION REACTIONS FROM FORMATE IONS BY D, H
AND Mu ATOMS IN AQUEOUS SOLUTION
A. M. Lossack, E. Roduner, and D. M. Bartels
Phys. Chem. Chem. Phys. 3, 2031-2037 (2001)

AGGREGATION OF DIALYKL-SUBSTITUTED DIPHOSPHONIC
ACIDS AND ITS EFFECT ON METAL ION EXTRACTION
R. Chiarizia, A. W. Herlinger, D. R. McAlister, R. E. Barrans, and
J. R. Ferraro
Separation Sci. and Technol. 36 (5&6) 687-708 (2001)

INVESTIGATION OF THE AGGREGATION OF THE NEODYMIUM
COMPLEXES OF DIALKYLPHOSPHORIC, -OXOTHIOPHORPHINIC,
AND -DITHIOPHOSPHINIC ACIDS IN TOLUENE
M. P. Jensen, R. Chiarizia, and V. Urban
Solvent Extr. and Ion Exch. 19 (5), 865-884 (2001)

TEMPERATURE EFFECTS IN THE EXTRACTION OF METAL IONS
BY DIALKYL-SUBSTITUTED DIPHOSPHONIC ACIDS. I. THE
Am(III) CASE
E. O. Otu and R. Chiarizia
Solvent Extr. and Ion Exch. 19 (5), 885-904 (2001)

AN IMPROVED EXTRACTION CHROMATOGRAPHIC RESIN FOR
THE SEPARATION OF URANIUM FROM ACIDIC NITRATE MEDIA
M. L. Dietz, E. P. Horwitz, L. R. Sajdak, and R. Chiarizia
Talanta 54, 1173-1184 (2001)

MAY 2001

FORMALDEHYDE DETERMINATION IN SUPERCRITICAL CO2
J. W. Rathke, L. M. Wojcinski, R. J. Klingler, M. J. Chen, and R. E. Gerald II
The Chemist 78 (4), 7-10 (2001)

METASTABLE ELECTRONS, HIGH-MOBILITY SOLVENT
ANIONS, AND CHARGE TRANSFER REACTIONS IN
SUPERCRITICAL CARBON DIOXIDE
I. A. Shkrob and M. C. Sauer, Jr.
J. Phys. Chem. B 105, 4520-4530 (2001)

RATE CONSTANTS AND KINETIC ISOTOPE EFFECTS IN
HYDROGEN ABSTRACTIONS BY H FROM FORMIC ACID
A. M. Lossack, D. M. Bartels, and E. Roduner
Res. Chem. Intermediates 27, 475-483 (2001)

RADIATION CHEMISTRY OF ORGANIC LIQUIDS:
SATURATED HYDROCARBONS
I. A. Shkrob, M. C. Sauer, Jr., and A. D. Trifunac
Radiation Chemistry:  Present Status and Future Prospects,
C. D. Jonah and B. S. M. Rao, Eds., Elsevier, Amsterdam, 2001,
pp. 175-221

ZEOLITE CATALYSIS STUDIES BY RADIATION CHEMICAL
METHODS

D. W. Werst and A. D. Trifunac
Radiation Chemistry: Present Status and Future Prospects,
C. D. Jonah and B. S. M. Rao, Eds., Elsevier, Amsterdam, 2001,
pp. 395-409

PHOTOREFRACTIVE LIQUID CRYSTALS
G. P. Wiederrecht
Invited Article, Annu. Rev. Mater. Res. 31, 139-169 (2001)

THE CALCULATION OF f-f SPECTRA OF LANTHANIDE AND
ACTINIDE IONS BY THE MCDF-CI METHOD
M. Seth, K. G. Kyall, R. Shepard and A. Wagner
J. Phys. B: At. Mol. Opt. Phys. 34, 2383-2406 (20021)

DISTRIBUTION AND ORIGIN OF ETHYL-BRANCHED ALKANES
IN A CENOMANIAN TRANSGRESSIVE SHALE OF THE
WESTERN INTERIOR SEAWAY (USA)
F. Kenig, D-J. H. Simons and K. B. Anderson
Organic Geochem. 32, 949-954 (2001)

BIFUNCTIONAL PHENYL MONOPHOSPHONIC/SULFONIC ACID
ION EXCHANGE RESIN AND PROCESS FOR USING THE SAME
S. Alexandratos, C. A. Shelly, E. P. Horwitz, and R. Chiarizia
U. S. Patent No. 6,232,353 - May 15, 2001

JUNE 2001

MOLTEN SALT ELECTROLYTES. I. EXPERIMENTAL AND
THEORETICAL STUDIES OF Lil/AlCl3
Y-C. Lee, J. Kolafa, L. A. Curtiss, M. A. Ratner, and D. F. Shriver
J. Chem. Phys. 114 (22), 9998-10009 (2001)

WAVE PACKET CALCULATION OF CROSS SECTIONS, PRODUCT
STATE DISTRIBUTIONS, AND BRANCHING RATIOS FOR THE
O(1D) + HCL REACTION
V. Piermarini, G. G. Balint-Kurti, S. K. Gray, F. Gögtas, A. Laganà,
and M. L. Hernández
J. Phys. Chem. A. 105 (24), 5743-5750 (2001)

DETERMINATION OF THE BRANCHING RATIOS FOR THE
REACTION OF HOT H ATOMS WITH BrCN AND ClCN
B. K. Decker, G. He, I. Tokue, and R. G. Macdonald
J. Phys. Chem. A 105 (24), 5759-5767 (2001)

A COULOMETRIC IODIMETRIC PROCEDURE FOR MEASURING
THE PURITY OF LEWISITE
G. Sandi, K. L. Brubaker, J. F. Schneider, H. J. O'Neill, and P. L. Cannon, Jr.
Talanta 54, 913-925 (2001)

THE NATURE OF THE BINARY SOLVENT N-METHYLPYRROLIDONE/
CARBON DISULFIDE
G. Dyrkacz
Energy & Fuels 15 (4), 918-929 (2001)

EXPERIMENTAL OBSERVATION OF SUPERPARAMAGNETISM
IN MANGANESE CLUSTERS
M. B. Knickelbein
Phys. Rev. Lett. 86 (23) 5255-5257 (2001)

CHANNELING OF PRODUCTS IN THE HOT ATOM REACTION
H = (CN)2 ® HCN/HNC + CN AND IN THE REACTION OF CN
WITH CH3SH
B. K. Decker and R. G. Macdonald
J. Phys. Chem. A 105 (28) 6817-6825 (2001)

SOLVENT ANIONS IN SUPERCRITICAL CARBON DIOXIDE:
FORMATION OF COMPLEXES WITH POLAR SOLUTES
I. A. Shkrob and M. C. Sauer, Jr.
J. Phys. Chem. B 105, 7027-7032 (2001)

HIGH MOBILITY SOLVENT HOLES IN METHYLCYCLOHEXANE
I. A. Shkrob, A. D. Liu, M. C. Sauer, Jr., and A. D. Trifunac
J. Phys. Chem. A 105, 7211-7215 (2001)

ANALYTICAL-SCALE SEPARATIONS OF THE LANTHANIDES:
A REVIEW OF TECHNIQUES AND FUNDAMENTALS
K. L. Nash and M. P. Jensen
Separation Sci. and Tech. 36 (5&6), 1257-1282 (2001)

DYNAMICS OF THE D2 + Ni(100) COLLISION SYSTEM: ANALYSIS
OF THE REACTIVE AND INELASTIC CHANNELS
M. Boyukata, Z. B. Guvenc, B. Jackson, and J. Jellinek
Int. J. Quantum Chem. 84, 48-57 (2001)

STRUCTURE AND REACTIVITY OF Nin (n=7-14, 19) CLUSTERS
M. Boyukata, Z. B. Guvenc, S. Ozcelilk, P. Durmus, and J. Jellinek
Int. J. Quantum Chem. 84, 208-215 (2001)

FT-IR SPECTROSCOPY OF NITRIC ACID IN TBP/OCTANE SOLUTION
J. R. Ferraro, M. Borkowski, R. Chiarizia, and D. R. McAlister
Solvent Extr. and Ion Exch. 19 (6), 981-992 (2001)

DYNAMIC HOLOGRAPHY IN PHOTOREFRACTIVE LIQUID CRYSTALS
G. P. Wiederrecht
Sensors and Optical Switching Phenomena (Molecular and Supramolecular
Photochemistry)
, Eds., K. Schanze and V. Ramamurthy, 2001, Marcel Dekker,
New York, pp. 319-363

THE NATURE AND FATE OF NATURAL RESINS IN THE GEOSPHERE.
PART XI. RUTHENIUM TETROXIDE OXIDATION OF A MATURE
CLASS Ib AMBER POLYMER
K. B. Anderson
Geochem. Trans. 3 (2001)

COMMENT ON "ON THE HIGH PRESSURE RATE CONSTANTS FOR
THE H/MU + O2 ADDITION REACTIONS" BY J. M. C. MARQUES
AND A. J. C. VARANDAS, PHYS. CHEM. CHEM. PHYS., 2001, 3, 505
L. B. Harding, J. Troe, and V. G. Ushakov
Phys. Chem. Chem. Phys. 3, 2630-2631 (2001)

MAPPING THE OH + CO ® HOCO REACTION PATHWAY THROUGH
IR SPECTROSCOPY OF THE OH-CO REACTANT COMPLEX
M. I. Lester, B. V. Pond, M. D. Marshall, D. T. Anderson, L. B. Harding,
and A. F. Wagner
Faraday Discuss. 118, 373-385 (2001)

JULY 2001

A SPECTROSCOPIC STUDY OF THE HYDROLYSIS, COLLOID
FORMATION AND SOLUBILITY OF Np(IV)
V. Neck, J. I. Kim, B. S. Seidel, C. M. Marquardt, K. Dardenne,
M. P. Jensen, and W. Hauser
Radiochim. Acta 89, 439-446 (2001)

PULSE RADIOLYSIS STUDIES OF SOLVATED ELECTRONS
IN SUPERCRITICAL ETHANE WITH METHANOL AS
COSOLVENT
N. M. Dimitrijevic, K. Takahashi, D. M. Bartels, and C. D. Jonah
J. Phys. Chem. A 105, 7236-7240 (2001)

SPUR DECAY KINETICS OF THE SOLVATED ELECTRON
IN HEAVY WATER RADIOLYSIS
D. M. Bartels, D. Gosztola, and C. D. Jonah
J. Phys. Chem. A 105, 8069-8072 (2001)

KINETICS OF THE REACTION OF H AND D WITH
METHANEDIOL AND 1,2-ETHANEDIOL IN AQUEOUS
SOLUTION
A. M. Lossack, E. Roduner and D. M. Bartels
Chem. Phys. Lett. 342, 524-528 (2001)

THERMODYNAMICS OF THE EXTRACTION OF METAL IONS
BY DIALKYL-SUBSTITUTED DIPHOSPHONIC ACIDS. II.
THE U(VI) AND Sr(II) CASE
E. O. Otu and R. Chiarizia
Solvent Extr. and Ion Exch. 19 (6), 1017-1036 (2001)

HIGH-FREQUENCY EPR APPROACH TO THE ELECTRON
SPIN-POLARIZATION EFFECTS OBSERVED IN THE
PHOTOSYNTHETIC REACTION CENTERS
O. G. Poluektov, L. M. Utschig, J. Tang, A. A. Dubinski,
S. Schlesselman, and M. C. Thurnauer
Appl. Magn. Reson. 21, 311-323 (2001)

AUGUST 2001

PROBING TRANSIENT MOLECULAR STRUCTURES WITH
TIME-RESOLVED PUMP/PROBE XAFS USING SYNCHROTRON
X-RAY SOURCES
L. X. Chen
J. Electron Spectroscopy and Related Phenomena 119, 161-174 (2001)

SIMULATION OF POLYETHYLENE OXIDE: IMPROVED STRUCTURE
USING BETTER MODELS FOR HYDROGEN AND FLEXIBLE WALLS
J. W. Halley, Y. Duan, B. Nielsen, P. C. Redfern, and L. A. Curtiss
J. Chem. Phys. 115 (8), 3957-3966 (2001)

NEUTRON SCATTERING STUDIES OF LANTHANIDE
MAGNETIC ORDERING
J. W. Lynn and S. Skanthakumar
Handbook on the Physics and Chemistry of Rare Earths,
Vol. 31, Eds., K. A. Gschneidner, Jr., L. Eyring and M. B. Maple,
Elsevier Science B. V., 2001, Chapter 199, pp. 315-350

SPIN POLARIZATION MECHANISMS IN EARLY STAGES
OF PHOTOINDUCED CHARGE SEPARATION IN SURFACE-
MODIFIED TiO2 NANOPARTICLES
T. Rajh, O. Poluektov, A. A. Dubinski, G. Wiederrecht,
M. C. Thurnauer, and A. D. Trifunac
Chem. Phys. Lett. 344, 31-39 (2001)

NICKEL CLUSTERS: THE INFLUENCE OF ADSORBED CO
ON MAGNETIC MOMENTS
M. B. Knickelbein
J. Chem. Phys. 115 (5), 1983-1986 (2001)

AN AB INITIO MOLECULAR DYNAMICS STUDY OF S0
KETENE FRAGMENTATION
K. M. Forsythe, S. K. Gray, S. J. Klippenstein, and G. E. Hall
J. Chem. Phys. 115 (5), 2134-2145 (2001)

TWO-PHOTON SPECTROSCOPY OF AUTOIONIZING STATES
OF AMMONIA
C. A. Raptis and S. T. Pratt
J. Chem. Phys. 115 (6) 2483-2491 (2001)

PHOTOPHYSICS OF p-CONJUGATED METAL - ORGANIC
OLIGOMERS: ARYLENEETHYNYLENES THAT CONTAIN
THE (bpy)Re(CO)3Cl CHROMOPHORE
K. A. Walters, K. D. Ley, C. S. P. Cavalaheiro, S. E. Miller,
D. Gosztola, M. R. Wasielewski, A. P. Bussandri, H. van Willigen,
and K. S. Schanze
J. Am. Chem. Soc. 123, 8329-8342 (2001)

ELECTRON AFFINITIES OF GERMANIUM ANION CLUSTERS
Gen
(n = 2-5)
P. W. Deutsch, L. A. Curtiss, and J.-P. Blaudeau
Chem. Phys. Lett. 344, 101-106 (2001)

MAGNETIC BEHAVIOR OF THE RARE-EARTH COMPOUNDS
RNiBC BY NEUTRON SCATTERING
F. Bourdarot, J. W. Lynn, E. Baggio-Saitovitch, Q. Huang,
D. R. Sanchez, and S. Skanthakumar
Phys. Rev. B 64 (10) 104410/1 - 104410/12

WAVE PACKET DYNAMICS OF THE N(4S) + 02 (X3Sg-)
NO(X2P)+ O(3P) REACTION ON THE X2A' POTENTIAL
ENERGY SURFACE
P. Defazio, C. Petrongolo, S. K. Gray, and C. Oliva
J. Chem. Phys. 115 (7), 3208-3214 (2001)

SEMICONDUCTOR ASSISTED METAL DEPOSITION FOR
NANOLITHOGRAPHY APPLICATIONS
T. Rajh, N. Meshkov, J. M. Nedeljkovic, L. R. Skubal,
D. M. Tiede and M. Thurnauer
U. S. Patent No. 6,271,130 (August 7, 2001)

SEPTEMBER 2001

INVESTIGATION OF STRUCTURAL CHANGES IN Ni19 AND
Ni23 INDUCED BY ADSORPTION OF HYDROGEN/DEUTERIUM
AND AMMONIA
E. K. Parks, G. C. Nieman, and S. J. Riley
J. Chem. Phys. 115 (9), 4125-4131 (2001)

THEORETICAL AND EXPERIMENTAL INVESTIGATION OF
THE DYNAMICS OF THE PRODUCTION OF CO FROM THE
CH3 + O AND CD3 + O REACTIONS
T. P. Marcy, R. R. Diaz, D. Heard, S. R. Leone, L. B. Harding,
and S. J. Klippenstein
J. Phys. Chem. A 105 (36) 8361-8369 (2001)

MOMENT ANALYSIS OF HYDRATED ELECTRON CLUSTER
SPECTRA: SURFACE OR INTERNAL STATES?
D. M. Bartels
J. Chem. Phys. 115 (9), 4404-4408 (2001)

TEMPERATURE EFFECT ON SPECTRUM OF SOLVATED
ELECTRON FORMED IN A MIXTURE OF SUPERCRITICAL
ETHANE
K. Takahashi, N. M. Dimitrijevic, D. M. Bartels, and C. Jonah
Rad. Phys. Chem. 60 (4-5), 399-404 (2001)

FORMATION, TRAPPING AND KINETICS OF H ATOMS
IN WET ZEOLITES AND MESOPOROUS SILICA
S. C. Chemerisov, D. W. Werst, and A. D. Trifunac
Rad. Phys. Chem. 60 (4-5), 405-410 (2001)

THERMODYNAMICS OF DIOXONEPTUNIUM(V)
COMPLEXATION BY DICARBOXYLIC ACIDS
M. P. Jensen and K. L. Nash
Radiochim. Acta 89, 557-564 (2001)

ELECTRONIC AND MAGNETIC PROPERTIES OF Cm IN
Pb2Sr2Cm1-xCaxCu3O8 (x=0.0 and 0.5)
S. Skanthakumar, C. W. Williams, and L. Soderholm
Phys. Rev. B 64, 144521-1 - 144521-8 (2001)

X-RAY EXCITED OPTICAL LUMINESCENCE (XEOL) AS A
DETECTION SCHEME FOR CHARACTERIZING MATERIALS
L. Soderholm, G. K. Liu, M. R. Antonio, and M. F. Reid
Encyclopedia of Materials: Science and Technology 2001,
Elsevier Science Ltd., 2001, pp. 1140-1142

LASER: SOLID, SITE-SELECTIVE LASER EXCITATION
G. K. Liu
Encyclopedia of Materials: Science and Technology 2001,
Elsevier Science Ltd., 2001, pp. 4428-4431

USE OF ORGANO- AND ALKOXYSILANES IN THE
SYNTHESIS OF GRAFTED AND PRISTINE CLAYS
K. A. Carrado, L. Xu, R. Csencsits, and J. V. Muntean
Chem. Mater. 13, 3766-3773 (2001)

RATE CONSTANTS FOR H + CH4 ® CH3 + H2, CH3 +
H2
® CH4 + H, AND CH4 DISSOCIATION AT HIGH
TEMPERATURE
J. W. Sutherland, M.-C. Su, and J. V. Michael
Intl. J. Chem. Kinetics 33 (11), 669-684 (2001)

THEORETICAL INVESTIGATIONS OF THE INTERACTION
OF SILVER TRIMER WITH ETHYLENE MOLECULES
U. Salian, S. Srinivas, and J. Jellinek
Chem. Phys. Lett. 345, 312-318 (2001)

THE SUBSPACE PROJECTED APPROXIMATE MATRIX
(SPAM) MODIFICATION OF THE DAVIDSON METHOD
R. Shepard, A. F. Wagner, J. L. Tilson, and M. Minkoff
J. Comp. Phys. 172 (2), 472-514 (2001)

OCTOBER 2001

ELECTRIC DIPOLE POLARIZABILITIES OF Ni12-58
M. B. Knickelbein
J. Chem. Phys. 115, 5957 (2001)

INTERMOLECULAR DIMERIZATION WITHIN PILLARED,
LAYERED CLAY TEMPLATES
G. P. Wiederrecht, G. Sandi, K. A. Carrado, and S. Seifert
Chem. Materials 13 (11), 4233-4238 (2001)

SOLVENT EXTRACTION OF SEPARATED MACERALS IN
CARBON DISULFIDE/N-METHYLPYRROLIDONE
G. R. Dyrkacz and C. A. A. Bloomquist
Energy & Fuels 15 (6), 1403-1408 (2001)

BINARY SOLVENT EXTRACTIONS OF UPPER FREEPORT COAL
G. R. Dyrkacz and C. A. A. Bloomquist
Energy & Fuels 15 (6), 1409-1413 (2001)

ON THE NATURE AND ORIGIN OF ACIDIC SPECIES IN
PETROLEUM. 1. DETAILED ACID TYPE DISTRIBUTION IN
A CALIFORNIA CRUDE OIL
N. A. Tomczyk, R. E. Winans, J. H. Shinn and R. C. Robinson
Energy & Fuels 15 (6), 1498-1504 (2001)

A DIRECT TRANSITION STATE THEORY BASED ANALYSIS
OF THE BRANCHING IN NH2 + NO
D.-C. Fang, L. B. Harding, S. J. Klippenstein, and J. A. Miller
Faraday Discussion, Royal Soc. of Chem. 119, 207-222 (2001)

ION-EXCHANGE AS A MODE OF CATION TRANSFER INTO
ROOM-TEMPERATURE IONIC LIQUIDS CONTAINING CROWN
ETHERS: IMPLICATIONS FOR THE "GREENNESS" OF IONIC
LIQUIDS AS DILUENTS IN LIQUID-LIQUID EXTRACTION
M. L. Dietz and J. A. Dzielawa
Chem. Comm. (20), 2124-2125 (2001)

LASER-INDUCED "CHARGE TRANSFER-LATTICE" CLUSTERS
AND SITE-CONVERSION NEAR CHARGE IMPURITIES
V. S. Vikhnin, G. K. Liu, and J. V. Beitz
Phys. Lett. A 287, 419-425 (2001)

MAGNETIC-FIELD PROCESSING AS A MEANS OF EXTENDING
STRUCTURAL ORDERING IN SELF-ASSEMBLED BIOMIMETIC
GELS
M. A. Firestone, D. Tiede, and S. Seifert
APS Forefront 1, 77-79 (2001)

PROBING REDOX REACTIONS AT A SYNCHROTRON: THE
COORDINATION ENVIRONMENT OF Np(VII)
C. W. Williams, J. C. Sullivan, M. R. Antonio, and L. Soderholm
APS Forefront 1, 252-254 (2001)

NOVEMBER 2001

PROBING NANOCONFINED WATER IN ZEOLITE CAGES:
H ATOM DYNAMICS AND SPECTROSCOPY
S. D. Chemerisov and A. D. Trifunac
Chem. Phys. Lett. 347 (1-2), 65-72 (2001)

DISPERSION FITTED FINITE DIFFERENCE METHOD
WITH APPLICATIONS TO MOLECULAR QUANTUM
MECHANICS
S. K. Gray and E. M. Goldfield
J. Chem. Phys. 115 (18), 8331-8344 (2001)

GEOMETRICAL SIMPLIFICATION OF COMPLEX KINETIC SYSTEMS
R. T. Skodje and M. J. Davis
J. Phys. Chem. A 105 (45), 10356-10365 (2001)

A COMBINED INFRARED PHOTODISSOCIATION AND THEORETICAL
STUDY OF THE INTERACTION OF ETHANOL WITH SMALL GOLD
CLUSTERS
G. M. Koretsky, M. B. Knickelbein, R. Rousseau, and D. Marx
J. Phys. Chem. A 105, 11197-11203 (2001)

METAL ION EXTRACTION BY SILYL-SUBSTITUTED DIPHOSPHONIC
ACIDS. I. P,P'-DI-[3-(TRIMETHYLSILYL)-1-PROPYLENE] METHYLENE-
AND ETHYLENEDIPHOSPHONIC ACIDS
D. R. McAlister, M. L. Dietz, R. Chiarizia, and A. W. Herlinger
Separation Sci. and Tech. 36 (16), 3541-3562 (2001)

DECEMBER 2001

FORMATION OF UO2(BO3)4 CLUSTERS IN B2O3 GLASS DUE TO
CHARGE TRANSFER AND VIBRONIC EFFECTS

G. K. Liu, V. S. Vikhnin, H. Z. Zhuang, K. S. Hong, J. V. Beitz,
M. R. Antonio, L. Soderholm, and C. W. Williams
J. Luminescence 94-95, 677-681 (2001)

"CHARGE TRANSFER-LATTICE" CLUSTERS INDUCED
BY CHARGED IMPURITIES
V. S. Vikhnin, A. A. Kaplyanskii, A. B. Kutsenko, G. K. Liu,
J. V. Beitz, and S. E. Kapphan
J. Luminescence 94/95, 775-779 (2001)

DEVELOPMENT OF NEW ANODES FOR RECHARGEABLE
LITHIUM BATTERIES
G. Sandí
J. New Materials for Materials of Electrochem. Systems 4, 259-265 (2001)

PHYSICAL AND ELECTROCHEMICAL PROPERTIES OF A
CARBON-BASED MATERIALS PRODUCED FROM PAPER
MILL SLUDGE
N. R. Khalili, M. Campbell, G. Sandí, W. Lu, and I. V. Barsokov
J. New Materials for Materials of Electrochem. Systems 4, 267-274 (2001)

SMALL-ANGLE X-RAY STUDIES OF SOOT INCEPTION AND GROWTH
J. P. Hessler, S. Seifert, R. E. Winans, and T. H. Fletcher
Faraday Discuss. 119, 395-407 (2001)

TIGHT-BINDING MOLECULAR-DYNAMICS SIMULATION OF
IMPURITIES IN ULTRANANOCRYSTALLINE DIAMOND GRAIN
BOUNDARIES
P. Zapol, M. Sternberg, L. A. Curtiss, T. Frauenheim, and D. M. Gruen
Phys. Rev. B 65, 045403-1/045403-11 (2001)

 

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