The Journal of Chemical Physics, 2004, V 121, N 5, 1 August.

 Isomer abundance of small carbon 
 clusters formed in buffer He gas
 Yang Sheng, Xi-Jing Ning, and Peng Li
 pp. 2013-2015
 
 Bounds to average interelectronic angles
 in Hartree-Fock theory of atoms
 Toshikatsu Koga and Hisashi Matsuyama
 pp. 2016-2019

 Few-states models for three-photon absorption
 Peter Cronstrand, Patrick Norman, 
 Yi Luo, and Hans Agren
 pp. 2020-2029

 Conjugate-gradient optimization method
 for orbital-free density functional calculations
 Hong Jiang and Weitao Yang
 pp. 2030-2036

 Exact decoupling of the Dirac Hamiltonian.
 I. General theory
 Markus Reiher and Alexander Wolf
 pp. 2037-2047

 Thermal decomposition of peroxy
 acetyl nitrate CH3C(O)OONO2
 Stefan von Ahsen, Helge Willner, 
 and Joseph S. Francisco
 pp. 2048-2057

 Classical trajectory calculations of 
 intramolecular vibrational energy 
 redistribution. I. Methanol-water complex
 Norifumi Yamamoto, Yumi Nishino, 
 and Eisaku Miyoshi
 pp. 2058-2066

 Classical trajectory calculations of 
 intramolecular vibrational energy 
 redistribution. II. Phenol-water complex
 Norifumi Yamamoto and Eisaku Miyoshi
 pp. 2067-2070

 Calculation of converged rovibrational
 energies and partition function for methane
 using vibrational–rotational configuration interaction
 Arindam Chakraborty, Donald G. Truhlar,
 Joel M. Bowman, and Stuart Carter
 pp. 2071-2084

 Isomeric interconversion in the 
 linear Cl–-HD anion complex
 R. L. Wilson, Z. M. Loh, D. A. Wild,
 E. J. Bieske, and A. A. Buchachenko
 pp. 2085-2093

 Replacement equivalence of H– and 
 argon in small (Ar)nH– clusters from 
 optimized structure calculations
 F. Sebastianelli, I. Baccarelli, C. Di Paola, 
 and F. A. Gianturco
 pp. 2094-2104

 Excited state electronic structures and 
 dynamics of NOCl: A new potential function
 set, absorption spectrum, and 
 photodissociation mechanism
 Takefumi Yamashita and Shigeki Kato
 pp. 2105-2116

 Preparation and resolution of molecular
 states by coherent sequences of 
 phase-locked ultrashort laser pulses
 Saul Ramos-Sanchez and Victor Romero-Rochin
 pp. 2117-2124

 First principles simulation of the UV 
 absorption spectrum of ethylene using 
 the vertical Franck-Condon approach
 Anirban Hazra, Hannah H. Chang, 
 and Marcel Nooijen
 pp. 2125-2136

 High-resolution kinetic energy release 
 distributions and dissociation energies 
 for fullerene ions Cn+, 42n90
 K. Guch, S. Matt-Leubner, O. Echt,
 B. Concina, P. Scheier, and T. D. Mark
 pp. 2137-2143

 Density functional investigations of the 
 properties and thermochemistry of UF6 
 and UF5 using valence-electron and 
 all-electron approaches
 Enrique R. Batista, Richard L. Martin, 
 P. Jeffrey Hay, Juan E. Peralta, and 
 Gustavo E. Scuseria
 pp. 2144-2150

 The Xe shielding surfaces for Xe interacting
 with linear molecules and spherical tops
 Devin N. Sears and Cynthia J. Jameson
 pp. 2151-2157

 Vibrational and rotational dynamics of 
 cyanoferrates in solution
 Gerald M. Sando, Q. Zhong, and J. C. Owrutsky
 pp. 2158-2168

 Phase behavior of n-alkanes in supercritical 
 solution: A Monte Carlo study
 Peter Virnau, Marcus Muller, L. G. MacDowell,
 and K. Binder
 pp. 2169-2179

 A Kirkwood-Buff derived force field for the 
 simulation of aqueous guanidinium chloride solutions
 Samantha Weerasinghe and Paul E. Smith
 pp. 2180-2186

 Coupled reference interaction site model/simulation 
 approach for thermochemistry of solvation: 
 Theory and prospects
 Holly Freedman and Thanh N. Truong
 pp. 2187-2198

 Theoretical calculations of effective exchange
 integrals by spin projected and unprojected
 broken-symmetry methods. III. Cluster
 models of three-dimensional KNiF3 solid
 Taku Onishi and Kizashi Yamaguchi
 pp. 2199-2207

 Photodissociation of diiodomethane
 in acetonitrile solution and fragment
 recombination into iso-diiodomethane 
 studied with ab initio molecular dynamics 
 simulations
 Michael Odelius, Malin Kadi, Jan Davidsson, 
 and Alexander N. Tarnovsky
 pp. 2208-2214

 Nuclear and electron spin relaxation in 
 paramagnetic complexes in solution: 
 Effects of the quantum nature of 
 molecular vibrations
 Danuta Kruk, Jozef Kowalewski, 
 and Per-Olof Westlund
 pp. 2215-2227

 Optical linear response function with
 linear and diagonal quadratic 
 electron-vibration coupling in mixed 
 quantum-classical systems
 Mohamad Toutounji
 pp. 2228-2238

 The role of intermolecular polarization for the 
 stability of lithium intercalation 
 compounds of - and -perylene
 R. Friedlein, X. Crispin, C. Suess, 
 M. Pickholz, and W. R. Salaneck
 pp. 2239-2245

 Dewetting at soft viscoelastic interfaces
 G. Carbone and B. N. J. Persson
 pp. 2246-2252

 Photodissociation of ICN at the
 liquid/vapor interface of water
 Nicole Winter and Ilan Benjamin
 pp. 2253-2263

 A SPR and AFM study of the effect of 
 surface heterogeneity on adsorption of proteins
 Yu-Wen Huang and Vinay K. Gupta
 pp. 2264-2271

 Growth kinetics, structure, and morphology
 of para-quaterphenyl thin films on gold(111)
 S. Mullegger, I. Salzmann, R. Resel,
 G. Hlawacek, C. Teichert, and A. Winkler
 pp. 2272-2277

 Vibrational effects in laser-driven
 molecular wires
 Jorg Lehmann, Sigmund Kohler, 
 Volkhard May, and Peter Hanggi
 pp. 2278-2288

 Structure prediction of high-pressure
 phases for alkali metal sulfides
 J. C. Schon, . anarevi, and M. Jansen
 pp. 2289-2304

 Motion of spheres along a fluid-gas
 interface
 Bogdan Cichocki, Maria L. Ekiel-Jeewska, 
 Gerhard Nagele, and Eligiusz Wajnryb
 pp. 2305-2316

 Atomistic mechanisms for the (1?1)hex
 surface phase transformations of Pt(100)
 P. van Beurden and G. J. Kramer
 pp. 2317-2325

 Ab initio study of small graphitic cones
 with triangle, square, and pentagon apex
 Steven Compernolle, B. Kiran, 
 L. F. Chibotaru, M. T. Nguyen, 
 and Arnout Ceulemans
 pp. 2326-2336

 Spectroscopic study of J aggregates of 
 amphiphilic merocyanine dyes formed
 in their pure Langmuir films
 Keiichi Ikegami
 pp. 2337-2347

 Li intercalation in TiO2 anatase: 
 Raman spectroscopy and lattice 
 dynamic studies
 M. Smirnov and R. Baddour-Hadjean
 pp. 2348-2355

 The essential role of H-F substitution 
 in the electron-phonon interactions and 
 electron transfer in the negatively 
 charged acenes
 Takashi Kato and Tokio Yamabe
 pp. 2356-2366

 Polyelectrolyte shells of copolymer micelles
 in aqueous solutions: A Monte Carlo study
 Filip Uhlik, Zuzana Limpouchova, 
 Karel Jelinek, and Karel Prochazka
 pp. 2367-2375

 High frequency acoustic excitations in ed
 diblock copolymer studied by inelastic x-ray scattering
 H. Kriegs, W. Steffen, G. Fytas, G. Monaco, 
 C. Dreyfus, P. Fragouli, M. Pitsikalis, 
 and N. Hadjichristidis
 pp. 2376-2380

 The evolution dynamics of model proteins
 Guido Tiana, Nikolay V. Dokholyan, 
 Ricardo A. Broglia, and Eugene I. Shakhnovich
 pp. 2381-2389

 Thermodynamics of soft anisotropic contact lines
 Alejandro D. Rey
 pp. 2390-2402

 Comparison of molecular dynamics with 
 hybrid continuum–molecular dynamics for 
 a single tethered polymer in a solvent
 Sandra Barsky, Rafael Delgado-Buscalioni, 
 and Peter V. Coveney
 pp. 2403-2411

 Interplay of secondary structures and 
 side-chain contacts in the denatured state of BBA1
 Edward Z. Wen and Ray Luo
 pp. 2412-2421

 Free volume properties of a linear soft 
 polymer: A computer simulation study
 Marcello Sega, Pal Jedlovszky, 
 Nikolai N. Medvedev, and Renzo Vallauri
 pp. 2422-2427

 Oppositely charged colloidal binary mixtures: 
  A colloidal analog of the restricted primitive model
 Jose B. Caballero, Antonio M. Puertas, 
 Antonio Fernandez-Barbero, and F. Javier de las Nieves
 pp. 2428-2435

 Biomolecular free energy profiles by a 
 shooting/umbrella sampling protocol, "BOLAS"
 Ravi Radhakrishnan and Tamar Schlick
 pp. 2436-2444

 Optically nonlinear energy transfer in
 light-harvesting dendrimers
 David L. Andrews and David S. Bradshaw
 pp. 2445-2454