The Journal of Chemical Physics, 2004, V 120, N 11, March 15.

 Electric field-controlled water permeation coupled 
 to ion transport through a nanopore
J. Dzubiella, R. J. Allen, and J.-P. Hansen
pp. 5001-5004
  
 Multireference spin-adapted variant of density functional theory
Yuriy G. Khait and Mark R. Hoffmann
pp. 5005-5016

 Block-correlated coupled cluster theory: The general
 formulation and its application to the antiferromagnetic 
 Heisenberg model
Shuhua Li
pp. 5017-5026

 Density-functional theory calculations of optical rotatory 
 dispersion in the nonresonant and resonant frequency regions
Patrick Norman, Kenneth Ruud, and Trygve Helgaker
pp. 5027-5035

 Simple and accurate method to evaluate tunneling 
 splitting in polyatomic molecules
Gennady V. Mil'nikov, Kiyoshi Yagi, Tetsuya Taketsugu,
Hiroki Nakamura, and Kimihiko Hirao
pp. 5036-5045

 Energy partitioning for "fuzzy" atoms
P. Salvador and I. Mayer
pp. 5046-5052

 Decoupling quantum dissipation interaction via stochastic fields
Jiushu Shao
pp. 5053-5056

 Mass analyzed threshold ionization spectroscopy of 5-methylindole
 and 3-methylindole cations and the methyl substitution effect
Jung Lee Lin, Song Zhang, and Wen Bih Tzeng
pp. 5057-5063

 Quantum solvation of phthalocyanine in superfluid helium droplets
R. Lehnig and A. Slenczka
pp. 5064-5066

 Photophysics of protoporphyrin ions in vacuo: Triplet-state
 lifetimes and quantum yields
M. Reyes Calvo, Jens Ulrik Andersen, Preben Hvelplund, 
Steen Brondsted Nielsen, Ulrik V. Pedersen, Jimmy Rangama, 
Shigeo Tomita, and James S. Forster
pp. 5067-5072

 An ab initio study of the competing reaction channels 
 in the reaction of HOCO radicals with NO and O2
Gabriella Poggi and Joseph S. Francisco
pp. 5073-5080

 First principles study of the stability and electronic 
 structure of the icosahedral La13, La–113, and La+113 clusters
Dong-Bo Zhang and Jiang Shen
pp. 5081-5086

 Internal state distributions of fragment HCO via S0 and
 T1 pathways of glyoxal after photolysis in the ultraviolet region
Chih Chieh Kao, Mei-Lin Ho, Ming-Wei Chen, 
Sheng-Jui Lee, and I-Chia Chen
pp. 5087-5095

 Comparing the dynamical effects of symmetric 
 and antisymmetric stretch excitation of methane 
 in the Cl + CH4 reaction
Hans A. Bechtel, Jon P. Camden, 
Davida J. Ankeny Brown, and Richard N. Zare
pp. 5096-5103

 Ground state, growth, and electronic properties 
 of small lanthanum clusters
Dong-Bo Zhang and Jiang Shen
pp. 5104-5109

 Submillimeter-wave spectra of hypoiodous acid
Hiroyuki Ozeki and Shuji Saito
pp. 5110-5116

 Selective photochemistry via adiabatic passage:
 Degenerate product states with different lifetimes
Jiangbin Gong and Stuart A. Rice
pp. 5117-5127

 Stability and structure of LinH molecules (n = 3–6):
 Experimental and density functional study
C. H. Wu and R. O. Jones
pp. 5128-5132

 Excitations, optical absorption spectra, and optical 
 excitonic gaps of heterofullerenes. I. C60, C59N+, 
 and C48N12:  Theory and experiment
Rui-Hua Xie, Garnett W. Bryant, Guangyu Sun, 
Marc C. Nicklaus, David Heringer, Th. Frauenheim, 
M. Riad Manaa, Vedene H. Smith, Jr. , Yasuyuki Araki, 
and Osamu Ito
pp. 5133-5147

 Effects of solvation and core switching on the 
 photoelectron angular distributions from (CO2)n– and (CO2)n–·H2O
Richard Mabbs, Eric Surber, Luis Velarde, and Andrei Sanov
pp. 5148-5154

 Electronic spectroscopy and ionization potential 
 of UO2 in the gas phase
Jiande Han, Vasiliy Goncharov, Leonid A. Kaledin,
Anatoly V. Komissarov, and Michael C. Heaven
pp. 5155-5163

 How much can an intermediate state influence 
 competing reactive pathways?
Florin Despa and R. Stephen Berry
pp. 5164-5168

 A study of the reactions of molecular hydrogen 
 with small gold clusters
Sergey A. Varganov, Ryan M. Olson, Mark S. Gordon, 
Greg Mills, and Horia Metiu
pp. 5169-5175

 Quantum control of molecular orientation by two-color laser fields
Hideki Ohmura and Taisuke Nakanaga
pp. 5176-5180

 Ab initio potential energy surface, variational transition 
 state theory, and quasiclassical trajectory studies 
 of the F + CH4HF + CH3 reaction
Diego Troya, Judith Millan, Irene Banos, and Miguel Gonzalez
pp. 5181-5191

 A first principles simulation of rigid water
Markus Allesch, Eric Schwegler, Francois Gygi, and Giulia Galli
pp. 5192-5198

 The lattice and rotational dynamics of the methyl halides 
 described by pair potentials based on universal force fields
O. Kirstein and M. Prager
pp. 5199-5207


 Lattice gas 2D/3D equilibria: Chemical potentials and 
 adsorption isotherms with correct critical points
G. L. Aranovich, J. S. Erickson, and M. D. Donohue
pp. 5208-5216

 Structure and dynamics of orientational defects in ice I
N. Grishina and V. Buch
pp. 5217-5225

 On the use of the quasi-Gaussian entropy theory in the 
 study of simulated dilute solutions
M. D'Abramo, M. D'Alessandro, and Andrea Amadei
pp. 5226-5234

 Nature of long-range correlations of density fluctuations
 in glass-forming liquids
A. S. Bakai and E. W. Fischer
pp. 5235-5252

 Covariance nuclear magnetic resonance spectroscopy
Rafael Bruschweiler and Fengli Zhang
pp. 5253-5260

 Molecular dynamics simulations of the Ag+ or Na+ cation 
 with an excess electron in bulk water
Riccardo Spezia, Cedric Nicolas, Pierre Archirel, and Anne Boutin
pp. 5261-5268

 Coherent interactions in femtosecond transient grating
June-Sik Park and Taiha Joo
pp. 5269-5274

 Degenerate two-photon-absorption spectral studies 
 of highly two-photon active organic chromophores
Guang S. He, Tzu-Chau Lin, Jianming Dai, Paras N. Prasad, 
Ramamurthi Kannan, Ann G. Dombroskie, Richard A. Vaia, 
and Loon-Seng Tan
pp. 5275-5284

 A trimer model for water
M. Girardi and W. Figueiredo
pp. 5285-5292

 The evaporation/condensation transition of liquid droplets
Luis G. MacDowell, Peter Virnau, Marcus Muller, and Kurt Binder
pp. 5293-5308

 The relationship between crystal structure and methyl and 
 t-butyl group dynamics in van der Waals organic solids
Peter A. Beckmann, Carol Paty, Elizabeth Allocco, Maria Herd, 
Carolyn Kuranz, and Arnold L. Rheingold
pp. 5309-5314

 Translational and rotational diffusion of SF6 in zeolite NaY
Pradip Kr. Ghorai and S. Yashonath
pp. 5315-5321

 Orientational s of small anisotropic molecules confined in slit pores
Xin Zhou, Hu Chen, and Mitsumasa Iwamoto
pp. 5322-5326

 High pressure reactivity of propene by first principles
 molecular dynamics calculations
Martina Mugnai, Gianni Cardini, and Vincenzo Schettino
pp. 5327-5333

 Interfacial glass transition profiles in ultrathin, spin cast polymer films
Scott Sills, Rene M. Overney, Wilson Chau, Victor Y. Lee,
Robert D. Miller, and Jane Frommer
pp. 5334-5338

 High-dimensional quantum dynamical study 
 of the dissociation of H2 on Pd(110)
Arezoo Dianat and Axel Gro?
pp. 5339-5346

 Local chemical reaction of benzene on Cu(110) via
 STM-induced excitation
T. Komeda, Y. Kim, Y. Fujita, Y. Sainoo, and Maki Kawai
pp. 5347-5352

 Poisson–Boltzmann theory of the charge-induced
 adsorption of semi-flexible polyelectrolytes
Job Ubbink and Alexei R. Khokhlov
pp. 5353-5365

 Influences of hydration force and elastic strain
 energy on the stability of solid film in 
 a very thin solid-on-liquid structure
C. Y. Yang and Ya-Pu Zhao
pp. 5366-5376

 Vibrational behavior of adsorbed CO2 on 
 single-walled carbon nanotubes
Wai-Leung Yim, Oleg Byl, John T. Yates, Jr. , 
and J. Karl Johnson
pp. 5377-5386

 Free energy, energy, and entropy of swelling in 
 Cs–, Na–, and Sr–montmorillonite clays
Heather D. Whitley and David E. Smith
pp. 5387-5395


 Modeling molecular transport in slit pores
Owen G. Jepps, Suresh K. Bhatia, and Debra J. Searles
pp. 5396-5406
 

 The interface between benzenes (C6H6;C6H5Cl;2-C6H4OHCl)
 and amorphous solid water studied with metastable impact 
 electron spectroscopy and ultraviolet photoelectron 
 spectroscopy (HeI and II)
A. Borodin, O. Hofft, U. Kahnert, V. Kempter, 
S. Krischok, and M. O. Abou-Helal
pp. 5407-5413

 Effects of carbon on the stability and chemical performance
 of transition metal carbides:  A density functional study
Ping Liu and Jose A. Rodriguez
pp. 5414-5423


 Hydrogen desorption kinetics from the 
 Si(1–x)Gex(100)-(2?1) surface
E. S. Tok, S. W. Ong, and H. Chuan Kang
pp. 5424-5431

 Isometric graphing and multidimensional scaling for 
 reaction-diffusion modeling on regular and fractal 
 surfaces with spatiotemporal pattern recognition
Jainy Kuriakose, Anandamohan Ghosh, 
V. Ravi Kumar, and B. D. Kulkarni
pp. 5432-5443

 Plasmon hybridization in spherical nanoparticles
E. Prodan and P. Nordlander
pp. 5444-5454

 Johari–Goldstein relaxation and crystallization
 of sorbitol to ed and dised phases
G. Power and J. K. Vij
pp. 5455-5462

 Hydrogen atom formation from the photodissociation
 of water ice at 193 nm
Akihiro Yabushita, Yuichi Hashikawa, Atsushi Ikeda,
Masahiro Kawasaki, and Hiroto Tachikawa
pp. 5463-5468

 Elastic behavior of short compact polymers
Tingting Sun, Linxi Zhang, Jin Chen, and Yu Shen
pp. 5469-5475

 Spreading of block copolymer films and domain
 alignment at moving terrace steps
Vladimir A. Belyi and Thomas A. Witten
pp. 5476-5485

 Cubatic phase for tetrapods
Ronald Blaak, Bela M. Mulder, and Daan Frenkel
pp. 5486-5492