The Journal of Chemical Physics, 2004, V 120, N 9, March 1.

 Tunneling-induced spin alignment at low and zero field
M. Tomaselli, U. Meier, and B. H. Meier
pp. 4051-4054
 
 Rate constants for diffusive processes by partial path sampling
Daniele Moroni, Peter G. Bolhuis, and Titus S. van Erp
pp. 4055-4065


 Three-body problem in quantum mechanics: 
 Hyperspherical elliptic coordinates and 
 harmonic basis sets
Vincenzo Aquilanti and Stefano Tonzani
pp. 4066-4073

 A new perspective on the coarse-grained 
 dynamics of fluids
Gary S. Ayton, Harald L. Tepper, 
Dina T. Mirijanian, and Gregory A. Voth
pp. 4074-4088

 Trajectory approach to dissipative quantum 
 phase space dynamics: Application to barrier scattering
Keith H. Hughes and Robert E. Wyatt
pp. 4089-4097

 The one-particle Green's function method in the 
 Dirac–Hartree–Fock framework. I. Second- valence
 ionization energies of Ne through Xe
M. Pernpointner and A. B. Trofimov
pp. 4098-4106

 Semiclassical tunneling splittings from short time 
 dynamics: Herman–Kluk-propagation and 
 harmonic inversion
Kai Giese and Oliver Kuhn
pp. 4107-4118

 The incomplete beta function law for parallel
 tempering sampling of classical canonical systems
Cristian Predescu, Mihaela Predescu, 
and Cristian V. Ciobanu
pp. 4119-4128

 W3 theory: Robust computational thermochemistry 
 in the kJ/mol accuracy range
A. Daniel Boese, Mikhal Oren, Onur Atasoylu, 
Jan M. L. Martin, Mihaly Kallay, and Jurgen Gauss
pp. 4129-4141

 On the zirconium oxide neutral cluster distribution 
 in the gas phase: Detection through 118 nm 
 single photon, and 193 and 355 nm multiphoton, ionization
Y. Matsuda, D. N. Shin, and E. R. Bernstein
pp. 4142-4149

 On the iron oxide neutral cluster distribution in 
 the gas phase. I. Detection through 193 nm 
 multiphoton ionization
D. N. Shin, Y. Matsuda, and E. R. Bernstein
pp. 4150-4156

 On the iron oxide neutral cluster distribution in
 the gas phase. II. Detection through 118 nm
 single photon ionization
D. N. Shin, Y. Matsuda, and E. R. Bernstein
pp. 4157-4164

 On the copper oxide neutral cluster distribution
 in the gas phase: Detection through 355 nm and
 193 nm multiphoton and 118 nm single photon ionization
Y. Matsuda, D. N. Shin, and E. R. Bernstein
pp. 4165-4171

 Low-energy electron scattering by cubane: Resonant
 states and Ramsauer–Townsend features from
 quantum calculations in the gas phase
F. A. Gianturco, R. R. Lucchese, A. Grandi, and N. Sanna
pp. 4172-4181

 Neutral and zwitterionic glycine.H2O complexes:
 A theoretical and matrix-isolation Fourier
 transform infrared study
Riet Ramaekers, Joanna Pajak,
Bert Lambie, and Guido Maes
pp. 4182-4193

 Spectroscopic interpretation: The high
 vibrations of CDBrClF
C. Jung, C. Mejia-Monasterio, and H. S. Taylor
pp. 4194-4206

 Electronic ground states of the V2O species from
 multireference correlation and density functional studies
Mikhail Pykavy, Christoph van Wullen,
and Joachim Sauer
pp. 4207-4215


 Ab initio configuration interaction study of
 the low-lying 1+ electronic states of LiCl
P. F. Weck, K. Kirby, and P. C. Stancil
pp. 4216-4222

 193-nm photodissociation of acryloyl
 chloride to probe the unimolecular 
 dissociation of CH2CHCO radicals 
 and CH2CCO
D. E. Szpunar, J. L. Miller, L. J. Butler, and F. Qi
pp. 4223-4230

 State-to-state dynamics of the Cl + CH3OHHCl
 + CH2OH reaction
Hans A. Bechtel, Jon P. Camden,
and Richard N. Zare
pp. 4231-4239

 Ab initio study of the reactions of
 Ga(2P, 2S, and 2P) with methane
J. H. Pacheco-Sanchez, H. Luna-Garcia,
and S. Castillo
pp. 4240-4246

 The microwave and infrared spectroscopy
 of benzaldehyde: Conflict between theory
 and experimental deductions
Lucas D. Speakman, Brian N. Papas,
H. Lee Woodcock, and Henry F. Schaefer III 
pp. 4247-4250

 A density-functional study of Al-doped Ti
 clusters: TinAl (n = 1–13)
J. Xiang, S. H. Wei, X. H. Yan, J. Q. You, 
and Y. L. Mao
pp. 4251-4257

 Persistence rewarded: Successful observation
 of the  2– 2g electronic transition of jet-cooled BS2
Sheng-Gui He and Dennis J. Clouthier
pp. 4258-4262

 New results for the OH (= 0,j = 0) + CO (= 0,j = 0)H
 + CO2 reaction: Five- and full-dimensional quantum
 dynamical study on several potential energy surfaces
Rosendo Valero, Drew A. McCormack, and Geert-Jan Kroes
pp. 4263-4272

 An ab initio potential energy surface and
 predissociative resonances of HArF
Hui Li, Daiqian Xie, and Hua Guo
pp. 4273-4280

 Energy distributions in multiple photon
 absorption experiments
K. Mehlig, K. Hansen, M. Heden, A. Lassesson
, A. V. Bulgakov, and E. E. B. Campbell
pp. 4281-4288

 An ab initio study of the ground and valence excited states of GaF
Xinzheng Yang, Meirong Lin, and Baozheng Zhang
pp. 4289-4296

 Infrared laser spectroscopy of jet cooled cobalt tricarbonyl nitrosyl
Kyle S. Trauth, William A. Burns, Ginger Berry, and Scott W. Reeve
pp. 4297-4305

 Experimental and theoretical study of proton spin-lattice
 relaxation in H2–Ar gas mixtures: Critical examination
 of the XC(fit) potential energy surface
Hassan Sabzyan, Frederick R. W. McCourt, 
and William P. Power
pp. 4306-4315

 Quantum and classical studies of the O(3P) + H2
 (v = 0–3,j = 0)OH + H reaction using benchmark potential surfaces
M. Braunstein, S. Adler-Golden, B. Maiti, and G. C. Schatz
pp. 4316-4323

 Microsolvation of N2H+: The nature of interactions
 in N2H+–(H2)n (n = 1–14) complexes
Yinghong Sheng, Szczepan Roszak, and Jerzy Leszczynski
pp. 4324-4332

 Investigating bonding in small silicon–carbon clusters:
 Exploration of the potential energy surfaces of Si3C4, 
 Si4C3, and Si4C4 using ab initio molecular dynamics
Marjorie Bertolus, Fabio Finocchi, and Philippe Millie
pp. 4333-4343

 Inertial solvent dynamics and the analysis of spectral line
 shapes: Temperature-dependent absorption spectrum
 of -carotene in nonpolar solvent
Jim A. Burt, Xihua Zhao, and Jeanne L. McHale
pp. 4344-4354

 Electric conductivities of 1:1 electrolytes in liquid
 methanol along the liquid–vapor coexistence curve
 up to the critical temperature. I. NaCl, KCl, 
 and CsCl solutions
Taka-aki Hoshina, Noriaki Tsuchihashi,
Kazuyasu Ibuki, and Masakatsu Ueno
pp. 4355-4365

 Investigation of vapor-deposited amorphous ice
 and irradiated ice by molecular dynamics simulation
Bertrand Guillot and Yves Guissani
pp. 4366-4382

 Amide I vibrational circular dichroism of dipeptide:
 Conformation dependence and fragment analysis
Jun-Ho Choi and Minhaeng Cho
pp. 4383-4392

 Angular resolution and range of dipole–dipole
 correlations in water
Gerald Mathias and Paul Tavan
pp. 4393-4403

 Particle rearrangements during transitions between
 local minima of the potential energy landscape 
 of a binary Lennard-Jones liquid
Michael Vogel, Burkhard Doliwa,
Andreas Heuer, and Sharon C. Glotzer
pp. 4404-4414

 Particle dynamics and the development of string-like
 motion in a simulated monoatomic supercooled liquid
Y. Gebremichael, M. Vogel, and S. C. Glotzer
pp. 4415-4427

 Molecular cluster decay viewed as
 escape from a potential of mean force
Ian J. Ford and Sarah A. Harris
pp. 4428-4440

 Bridge mediated two-electron transfer reactions: 
 Analysis of stepwise and concerted pathways
E. G. Petrov and V. May
pp. 4441-4456

 Size dependent ion hydration, its asymmetry,
 and convergence to macroscopic behavior
Sowmianarayanan Rajamani, Tuhin Ghosh, and Shekhar Garde
pp. 4457-4466

 Case study of enthalpy–entropy noncompensation
Giuseppe Graziano
pp. 4467-4471

 Tractable molecular theory of transport of
 Lennard-Jones fluids in nanopores
Suresh K. Bhatia, Owen Jepps, and David Nicholson
pp. 4472-4485

 Dissociation mechanism of 2-propanol on a Si(111)-(7?7)
 surface studied by scanning tunneling microscopy
Ken-ichi Tanaka, Yuka Nomoto, and Zhao-Xiong Xie
pp. 4486-4491

 Electrorheology in nanopores via lattice Boltzmann simulation
Simone Melchionna and Sauro Succi
pp. 4492-4497

 Photodissociation of hydrogen iodide on the surface
 of large argon clusters: The orientation of the librational
 wave function and the scattering from the cluster cage
Petr Slaviek, Pavel Jungwirth, Marius Lewerenz,
N. Hendrik Nahler, Michal Farnik, and Udo Buck
pp. 4498-4511

 First principles study of CO oxidation on TiO2(110): 
 The role of surface oxygen vacancies
Xueyuan Wu, Annabella Selloni, and Saroj K. Nayak
pp. 4512-4516

 Rotational dynamics of colloidal spheres probed with
 fluorescence recovery after photobleaching
M. P. Lettinga, G. H. Koenderink, B. W. M. Kuipers,
E. Bessels, and A. P. Philipse
pp. 4517-4529

 Ab initio calculation of electrostatic multipoles with
 Wannier functions for large-scale biomolecular simulations
Celeste Sagui, Pawel Pomorski, Thomas A. Darden,
and Christopher Roland
pp. 4530-4544

 Erratum: "Velocity redistribution of excited atoms by radiative
 excitation transfer. II. Theory of radiation trapping in
 collimated beams" [J. Chem. Phys. 119, 7094 (2003)]
N. N. Bezuglov, A. Ekers, O. Kaufmann, K. Bergmann,
F. Fuso, and M. Allegrini
p. 4545