The Journal of Chemical Physics, 2004, V 121, N 11, 15 September.

 Freezing on heating of liquid solutions
M. Plazanet, C. Floare, M. R. Johnson, 
R. Schweins, and H. P. Trommsdorff
pp. 5031-5034

 Reaction-path switching induced 
by spatial-distribution change of 
reactants: CO oxidation on Pt(111)
I. Nakai, H. Kondoh, K. Amemiya, 
M. Nagasaka, A. Nambu, T. Shimada, 
and T. Ohta
pp. 5035-5038

 Stimulated emission three-pulse 
photo-echo peakshift: A mixed 
pump-probe and photon-echo technique 
for studying excited-state dynamics
Delmar S. Larsen
pp. 5039-5042

Many-body interaction analysis: 
Algorithm development and application 
to large molecular clusters
Anant D. Kulkarni, V. Ganesh, 
and Shridhar R. Gadre
pp. 5043-5050

 Electronic g-tensors of solvated 
molecules using the polarizable 
continuum model
Zilvinas Rinkevicius, Lyudmyla Telyatnyk, 
Olav Vahtras, and Kenneth Ruud
pp. 5051-5060

 Effect of time-dependent basis 
functions and their superposition 
error on atom-centered density 
matrix propagation (ADMP): Connections 
to wavelet theory of multiresolution 
analysis
Srinivasan S. Iyengar and Michael J. Frisch
pp. 5061-5070

 Simplified diagrammatic expansion 
for effective operators
Chang-Kui Duan, Yun-Gui Gong, 
Hui-Ning Dong, and Michael F. Reid
pp. 5071-5075

 Conservation of connectivity of 
model-space effective interactions 
under a class of similarity transformation
Chang-Kui Duan, Yungui Gong, 
Hui-Ning Dong, and Michael F. Reid
pp. 5076-5080

 Thermodynamics of attractive hard rods: 
 A test of mean field density functional theory
 Sascha Khakshouri and Ian J. Ford
 pp. 5081-5090

 Interpolating moving least-squares 
 methods for fitting potential energy 
 surfaces: Applications to classical 
 dynamics calculations
 Yin Guo, Akio Kawano, Donald L. Thompson, 
 Albert F. Wagner, and Michael Minkoff
 pp. 5091-5097

 New hybrid method for reactive systems 
 from integrating molecular orbital or 
 molecular mechanics methods with 
 analytical potential energy surfaces
 Joaquin Espinosa-Garcia, Cipriano Rangel, 
 Marta Navarrete, and Jose C. Corchado
 pp. 5098-5108

 A novel method for calculating rate 
 constants of diffusion-influenced 
 reactions
 Konstantin L. Ivanov and Nikita N. Lukzen
 pp. 5109-5114

 The integral encounter theory of 
 multistage reactions containing 
 association-dissociation reaction stages. 
 III. Taking account of quantum states of reactants
 Konstantin L. Ivanov, Nikita N. Lukzen, 
 and Alexander B. Doktorov
 pp. 5115-5124

 Inelastic hard rods in a periodic potential
 Fabio Cecconi, Umberto Marini Bettolo Marconi, 
 Fabiana Diotallevi, and Andrea Puglisi
 pp. 5125-5132

 Solvent effects on electronic properties 
 from Wannier functions in a dimethyl 
 sulfoxide/water mixture
 Barbara Kirchner and Jurg Hutter
 pp. 5133-5142

 Calculating expectations with 
 time-dependent perturbations in 
 quantum Monte Carlo
 M. H. Kalos and F. Arias 
 de Saavedra
 pp. 5143-5147

 Accurate vibrational-rotational 
 partition functions and standard-state 
 free energy values for H2O2 from Monte 
 Carlo path-integral calculations
 Vanessa Audette Lynch, Steven L. Mielke, 
 and Donald G. Truhlar
 pp. 5148-5162

 Analytical second- geometrical 
 derivatives of energy for the 
 self-consistent-charge density-functional 
 tight-binding method
 Henryk A. Witek, Stephan Irle, 
 and Keiji Morokuma
 pp. 5163-5170

 Modeling vibrational spectra using 
 the self-consistent charge density-functional 
 tight-binding method. I. Raman spectra
 Henryk A. Witek, Keiji Morokuma, 
 and Anna Stradomska
 pp. 5171-5178

 Rovibrational distributions of HF in
 the photodissociation of vinyl 
 fluoride at 193 nm: A direct MP2 
 quasiclassical trajectory study
 Emilio Martinez-Nunez and Saulo Vazquez
 pp. 5179-5182

 Role of the F spin-orbit excited 
 state in the F+HD reaction: 
 Contributions to the dynamical resonance
 Yi-Ren Tzeng and Millard H. Alexander
 pp. 5183-5190

 Resonance spectrum and dissociation 
 dynamics of ozone in the 3B2 electronically 
 excited state: Experiment and theory
 Sabine F. Deppe, Uwe Wachsmuth, Bernd Abel, 
 Martina Bittererova, Sergy Yu. Grebenshchikov, 
 Rudiger Siebert, and Reinhard Schinke
 pp. 5191-5200

 Dielectric and vibrational properties 
 of amino acids
 P. R. Tulip and S. J. Clark
 pp. 5201-5210

 Symmetries, vibrational instabilities, 
 and routes to stable structures of 
 clusters of Al, Sn, and As
 Raghani Pushpa, Shobhana Narasimhan, 
 and Umesh Waghmare
 pp. 5211-5220

 Product multiplet branching in the 
 O(1D) + H2OH(2) + H reaction
 Millard H. Alexander, Edward J. Rackham, 
 and David E. Manolopoulos
 pp. 5221-5235

 On the vertical excitation energy 
of cyclopentadiene
Yannick J. Bomble, Kurt W. Sattelmeyer, 
John F. Stanton, and Jurgen Gauss
pp. 5236-5240

 Rovibrational and dynamical 
properties of the hydrogen bonded 
complex (CH2)2S-HF: A combined free 
jet, cell, and neon matrix-Fourier 
transform infrared study
P. Asselin, M. Goubet, M. Lewerenz, 
P. Soulard, and J. P. Perchard
pp. 5241-5252

 Molecular elimination of Br2 in 248 
nm photolysis of bromoform probed by 
using cavity ring-down absorption spectroscopy
Hong-Yi Huang, Wan-Ting Chuang, 
Ramesh C. Sharma, Ching-Yi Hsu, 
King-Chuen Lin, and Ching-Han Hu
pp. 5253-5260

 Conformational effects on vibronic 
spectra and excited state dynamics 
of 3-fluorobenzoic acid dimer
Chayan K. Nandi, Montu K. Hazra, 
and Tapas Chakraborty
pp. 5261-5271

 Electron scattering from 
perfluorocyclobutane (c-C4F8)
M. Jelisavcic, R. Panajotovic, 
M. Kitajima, M. Hoshino, H. Tanaka, 
and S. J. Buckman
pp. 5272-5280

 Spin relaxation in isolated 
molecules and clusters:   
The interpretation of 
Stern-Gerlach experiments
Mark B. Knickelbein
pp. 5281-5283

 Electronic excitation and 
charge transfer processes in 
collisions between Mg(3 1S0) 
atoms and Rb+(1S0) ions in the 
0.07-4.00 keV energy range
M. Sabido, J. de Andres, 
J. Sogas, J. M. Lucas, 
M. Alberti, J. M. Bofill, 
and A. Aguilar
pp. 5284-5292

 Rotational excitations of N2O 
in small helium clusters and the 
role of Bose permutation symmetry
F. Paesani and K. B. Whaley
pp. 5293-5311

 Can density functional methods 
be used for open-shell actinide 
molecules? Comparison with 
multiconfigurational spin-orbit 
studies
Carine Clavaguera-Sarrio, 
Valerie Vallet, Daniel Maynau, 
and Colin J. Marsden
pp. 5312-5321

 Mechanism of anion formation 
in C 1s*-excited carbon dioxide
E. Ruhl and R. Flesch
pp. 5322-5327

 Bridge mediated two-electron 
transfer reactions: On the influence 
f intersite Coulomb interactions
E. G. Petrov, V. I. Teslenko, 
and V. May
pp. 5328-5338

 Comparison of lattice and 
continuum treatments of n-alkanes 
with experimental data
J. A. Porter and J. E. G. Lipson
pp. 5339-5347

 The workings of a molecular 
thermometer: The vibrational 
excitation of carbon tetrachloride by a solvent
Polly B. Graham, Kira JM Matus, 
and Richard M. Stratt
pp. 5348-5355

 Dissipative curve crossing problem. 
I. High-barrier crossing
Ilya Rips
pp. 5356-5371

 An improved renormalization group 
theory for real fluids
Jianguo Mi, Chongli Zhong, 
Yi-Gui Li, and Yiping Tang
pp. 5372-5380

 Strong enhancement of vibrational 
relaxation by Watson-Crick base pairing
Sander Woutersen and Gloria Cristalli
pp. 5381-5386

 Electron spin relaxation due to 
reorientation of a permanent zero 
field splitting tensor
Nathaniel Schaefle and Robert Sharp
pp. 5387-5394

 Mobility-induced instability and 
pattern formation in a reaction-diffusion system
Syed Shahed Riaz, Sandip Kar, 
and Deb Shankar Ray
pp. 5395-5399

 Towards an assessment of the accuracy 
of density functional theory for 
first principles simulations of water. II
Eric Schwegler, Jeffrey C. Grossman, 
Francois Gygi, and Giulia Galli
pp. 5400-5409

 Monte Carlo simulations of segregation 
in Pt-Re catalyst nanoparticles
Guofeng Wang, M. A. Van Hove, 
P. N. Ross, and M. I. Baskes
pp. 5410-5422

 Gravity-induced liquid crystal phase 
transitions of colloidal platelets
David van der Beek, Tanja Schilling, 
and Henk N. W. Lekkerkerker
pp. 5423-5426

 Electric field induced switching 
of poly(ethylene glycol) terminated 
self-assembled monolayers: A parallel 
molecular dynamics simulation
Satyavani Vemparala, Rajiv K. Kalia,
 Aiichiro Nakano, and Priya Vashishta
pp. 5427-5433

 The behavior of mixed-metal oxides: 
Physical and chemical properties of 
bulk Ce1-xTbxO2 and nanoparticles 
of Ce1-xTbxOy
Xianqin Wang, Jonathan C. Hanson, 
Gang Liu, Jose A. Rodriguez, 
Ana Iglesias-Juez, and 
Marcos Fernandez-Garcia
pp. 5434-5444

 Cycloaddition reactions of cyanogen 
(C2N2) on the Si(100)-2?1 surface
Chultack Lim and Cheol Ho Choi
pp. 5445-5450

 Positronium lifetime in polymers
Abel Camacho
pp. 5451-5454

 Low-temperature susceptibility of 
concentrated magnetic fluids
Alexander F. Pshenichnikov and 
Alexander V. Lebedev
pp. 5455-5467

 Irreversible versus reversible 
aggregation: Mean field theory 
and experiments
G. Odriozola, R. Leone, A. Schmitt, 
J. Callejas-Fernandez, R. Martinez-Garcia, 
and R. Hidalgo-Alvarez
pp. 5468-5481

 Lanthanide transport in stabilized 
zirconias: Interrelation between 
ionic radius and diffusion coefficient
Martin Kilo, Marcela A. Taylor, 
Christos Argirusis, Gunter Borchardt, 
Sylvain Weber, Hubert Scherrer, 
and Robert A. Jackson
pp. 5482-5487

 On the thermodynamic stability 
of clathrate hydrates IV: Double 
occupancy of cages
Hideki Tanaka, Takeharu Nakatsuka, 
and Kenichiro Koga
pp. 5488-5493

 Charge renormalization of charged 
spheres based on thermodynamic properties
Wei Lun Hsin, Tzu-Yu Wang, 
Yu-Jane Sheng, and Heng-Kwong Tsao
pp. 5494-5504

 Semiflexible polymers in a 
random environment
Arti Dua and Thomas A. Vilgis
pp. 5505-5513

 Competition of hydrophobic and 
Coulombic interactions between 
nanosized solutes
J. Dzubiella and J.-P. Hansen
pp. 5514-5530

 Using nanoparticles to create 
self-healing composites
Jae Youn Lee, Gavin A. Buxton, a
nd Anna C. Balazs
pp. 5531-5540

 Phase behavior of polarizable 
spherocylinders in external fields
Melissa Rotunno, Tommaso Bellini, 
Yves Lansac, and Matthew A. Glaser
pp. 5541-5549

 On the nucleation mechanism of the - 
phase transition in the energetic 
nitramine octahydro-1,3,5,7-tetranitro-
1,3,5,7-tetrazocine
L. Smilowitz, B. F. Henson, 
M. Greenfield, A. Sas, B. W. Asay, 
and P. M. Dickson
pp. 5550-5552

 A note on geometry relaxation of 
molecular positron complexes
Jose R. Mohallem and Cristina P. Goncalves
pp. 5553-5554

 Erratum: "Temperature dependent 
exciton emission from herringbone 
aggregates of conjugated oligomers" 
[J. Chem. Phys. 120, 7643 (2004)]
Frank C. Spano
p. 5555