The Journal of Chemical Physics, 2004, V 121, N 4, July 22.

 Evaluation of multicenter one-electron integrals
 of noninteger u screened Coulomb type
 potentials and their derivatives over
 noninteger n Slater orbitals
 I. I. Guseinov and B. A. Mamedov
 pp. 1649-1654

 Approximate generation of full-dimensiona
 l ab initio van der Waals surfaces
 for high-resolution spectroscopy
 Piotr Jankowski
 pp. 1655-1662

 Sign-consistent dynamical couplings
 between ab initio three-center wave functions
 L. F. Errea, L. Fernandez, A. Macias,
 L. Mendez, I. Rabadan, and A. Riera
 pp. 1663-1669

 Fock space multireference coupled
 cluster method with full inclusion
 of connected triples for excitation energies
 Monika Musia and Rodney J. Bartlett
 pp. 1670-1675

 Quantum tunneling dynamics in
 multidimensional systems:
 A matching-pursuit description
 Yinghua Wu and Victor S. Batista
 pp. 1676-1680

 Anharmonic quantum contribution
 to vibrational dephasing
 Debashis Barik and Deb Shankar Ray
 pp. 1681-1689

 Quantum dynamics calculations using
 symmetrized, orthogonal Weyl-Heisenberg
 wavelets with a phase space truncation
 scheme. II. Construction and optimization
 Bill Poirier and A. Salam
 pp. 1690-1703

 Quantum dynamics calculations using
 symmetrized, orthogonal Weyl-Heisenberg
 wavelets with a phase space truncation
 scheme. III. Representations and calculations
 Bill Poirier and A. Salam
  pp. 1704-1724

 Electron pair localization function: A practical
 tool to visualize electron localization in
 molecules from quantum Monte Carlo data
 Anthony Scemama, Patrick Chaquin,
 and Michel Caffarel
 pp. 1725-1735

 Theoretical investigation of substituted
 anthraquinone dyes
 Denis Jacquemin, Julien Preat, 
 Magali Charlot, Valerie Wathelet, 
 Jean-Marie Andre, and Eric A. Perpete
 pp. 1736-1743

 Intermolecular interaction in an
 open-shell -bound cationic complex:
 IR spectrum and coupled cluster 
 calculations for C2H-Ar
 Otto Dopfer, Rouslan V. Olkhov, 
 Mirjana Mladenovi, and Peter Botschwina
 pp. 1744-1753

 Intramolecular vibrational energy 
 redistribution in bridged azulene-anthracene 
 compounds: Ballistic energy transport 
 through molecular chains
 D. Schwarzer, P. Kutne, 
 C. Schroder, and J. Troe
 pp. 1754-1764

 Ultrafast predissociation dynamics 
 of water molecules excited to the 
 electronic  and  states
 O. Steinkellner, F. Noack, H.-H. Ritze,
  W. Radloff, and I. V. Hertel
  pp. 1765-1770

 Theoretical determination of highly
 excited states of K2 correlated 
 adiabatically above K(4p) + K(4p)
 S. Magnier, M. Aubert-Frecon, and A. R. Allouche
 pp. 1771-1781

 Theoretical investigations of the N2H2+ 
 cation and of its reactivity
 J. Palaudoux and M. Hochlaf
 pp. 1782-1789

 Electron collisions with trifluorides: 
 BF3 and PF3 molecules
 Czesaw Szmytkowski, Micha Piotrowicz,
 Alicja Domaracka, ukasz Kosowski,
 Elbieta Ptasiska-Denga, and 
 Grzegorz Kasperski
 pp. 1790-1795

 Photoassociation spectroscopy of
 ultracold Cs below the 6P1/2 limit
 Marin Pichler, Hongmin Chen, 
 and William C. Stwalley
 pp. 1796-1801

 Quantum treatment of the Ar-HI 
 photodissociation dynamics
 Sergio Lopez-Lopez, Rita Prosmiti,
 and Alberto Garcia-Vela
 pp. 1802-1809

 Franck-Condon simulation of the 
 single-vibronic-level emission spectra 
 of HPCl/DPCl and the chemiluminescence 
 spectrum of HPCl, including anharmonicity
 Foo-tim Chau, Daniel K. W. Mok, 
 Edmond P. F. Lee, and John M. Dyke
 pp. 1810-1823

 Calculation of the photodetachment cross
 sections of the HCN– and HNC– dipole-bound
 anions as described by a one-electron
 Drude model
 M. Sindelka, V. Spirko, P. Jungwirth, 
 F. Wang, S. Mahalakshmi, and K. D. Jordan
 pp. 1824-1829

 Dissociation of the ground state vinoxy 
 radical and its photolytic precursor 
 chloroacetaldehyde: Electronic 
 nonadiabaticity and the suppression 
 of the H+ketene channel
 Johanna L. Miller, Laura R. McCunn, 
 Maria J. Krisch, Laurie J. Butler, and Jinian Shu
 pp. 1830-1838

 Formation of HXeO in a xenon matrix: 
 Indirect evidence of production, trapping,
 and mobility of XeO (1 1+) in solid Xe
 Tiina Kiviniemi, Mika Pettersson, 
 Leonid Khriachtchev, Markku Rasanen, 
 and Nino Runeberg
 pp. 1839-1848

 Theoretical calculations of infrared absorption,
 vibrational circular dichroism, and
 two-dimensional vibrational spectra of 
 acetylproline in liquids water and chloroform
 Seungsoo Hahn, Hochan Lee, and Minhaeng Cho
 pp. 1849-1865

 Thermal conductivity, thermal effusivity, 
 and specific heat capacity near the lower 
 critical point of the binary liquid mixture 
 n-butoxyethanol–water
 S. Pittois, B. Van Roie, C. Glorieux, 
 and J. Thoen
 pp. 1866-1872

 Theory of excluded volume equation 
 of state: Higher approximations and
 new generation of equations of state 
 for entire density range
 Anatoly I. Rusanov
 pp. 1873-1877

 Relationship between cohesive
 energy density and hydrophobicity
 Giuseppe Graziano
 pp. 1878-1882

 Electronic structure of crystalline 
 copper phthalocyanine
 L. Lozzi, S. Santucci, S. La Rosa,
 B. Delley, and S. Picozzi
 pp. 1883-1889

 Pores in bilayer membranes of 
 amphiphilic molecules: 
 Coarse-grained molecular dynamics 
 simulations compared with 
 simple mesoscopic models
 C. Loison, M. Mareschal, 
 and F. Schmid
 pp. 1890-1900

 Scattering of O2 from Al(111)
 Hailemariam Ambaye, J. R. Manson, 
 Olaf Wei?e, Claudia Wesenberg, 
 Marcello Binetti, and Eckart Hasselbrink
 pp. 1901-1909

 Computer simulations of adsorption 
 and diffusion for binary mixtures of 
 methane and hydrogen in titanosilicates
 Martha C. Mitchell, Marco Gallo,
 and Tina M. Nenoff
 pp. 1910-1916

 The density distributions of the counterions
 and the coions confined in two
 similarly charged plates
  Cuilian Li and H. R. Ma
  pp. 1917-1927

 Electric-field driven director oscillations
 in a nematic liquid crystal: A NMR investigation
 G. R. Luckhurst, T. Miyamoto, A. Sugimura, 
 B. A. Timimi, and H. Zimmermann
 pp. 1928-1937

 Investigating the dominant corrections 
 to the strong-stretching theory for 
 dry polymeric brushes
 M. W. Matsen
 pp. 1938-1948

 Interactions between spherical colloids
 mediated by a liquid crystal: A molecular 
 simulation and mesoscale study
 Evelina B. Kim, Orlando Guzman, 
 Sylvain Grollau, Nicholas L. Abbott, 
 and Juan J. de Pablo
 pp. 1949-1961

 Effect of solvent quality on the conformations
 of a model comb polymer
 Yu-Jane Sheng, Kuang-Ling Cheng,
 and Chun-Chih Ho
 pp. 1962-1968

A computer simulation study of water drying
at the interface of protein chains
Qiang Huang, Shangwu Ding, Chih-Yu Hua,
Hsiao-Ching Yang, and Cheng-Lung Chen
pp. 1969-1977
 
Protein and solvent dynamics: How 
strongly are they coupled?
G. Caliskan, D. Mechtani, J. H. Roh, 
A. Kisliuk, A. P. Sokolov, S. Azzam, 
M. T. Cicerone, S. Lin-Gibson, and I. Peral
pp. 1978-1983
 
Theory of dynamic barriers, activated hopping, 
and the glass transition in polymer melts
Kenneth S. Schweizer and Erica J. Saltzman
pp. 1984-2000

 Universal scaling, dynamic fragility, 
 segmental relaxation, and vitrification in polymer melts
 Erica J. Saltzman and Kenneth S. Schweizer
 pp. 2001-2009