The Journal of Chemical Physics, 2000, V 112, N 14, April 8.

THEORETICAL METHODS AND ALGORITHMS


 Nonadiabatic dynamics via the classical limit Schrödinger equation
John C. Burant and John C. Tully
pp. 6097-6103

 Generalized quantum Fokker-Planck theory and its application to 
laser driven intramolecular hydrogen transfer
reactions in condensed phases
Oliver Kühn, Yi Zhao, Feng Shuang, and YiJing Yan
pp. 6104-6112

 A multiple spawning approach to tunneling dynamics
M. Ben-Nun and Todd J. Martínez
pp. 6113-6121

 Period adding and broken Farey tree
sequence of bifurcations for mixed-mode oscillations and chaos in the
simplest three-variable nonlinear system
Andrzej L. Kawczy [n-acute] ski and Peter E. Strizhak
pp. 6122-6130

 The performance of density-functional
theory in challenging cases: Halogen oxides
M. Alcami, O. Mó, M. Yáńez, and I. L. Cooper
pp. 6131-6140

 Shielding polarizabilities via continuous
transformation of the origin of the current density in the set of
small molecules: H2O2, F2, H2C2, H2CO, NH3, HCN, and HNC
M. C. Caputo, M. B. Ferraro, and P. Lazzeretti
pp. 6141-6151

 Ewald summation and reaction field methods
for potentials with atomic charges, dipoles, and polarizabilities
Thomas M. Nymand and Per Linse
pp. 6152-6160

 Distributed first and second order
hyperpolarizabilities: An improved calculation of nonlinear optical
susceptibilities of molecular crystals
H. Reis, M. G. Papadopoulos, C. Hättig, J. G. Ángyán, and R. W. Munn
pp. 6161-6172

GAS PHASE DYNAMICS AND STRUCTURE: SPECTROSCOPY, 
MOLECULAR INTERACTIONS, SCATTERING, AND PHOTOCHEMISTRY


 Competitive charge transfer reactions in small [Mg(H2O)N]2+ clusters
P. E. Barran, N. R. Walker, and A. J. Stace
pp. 6173-6177

 A first principles study of the acetylene-water interaction
Demeter Tzeli, Aristides Mavridis, and Sotiris S. Xantheas
pp. 6178-6189

 Determination of µ-v-j vector correlations
in photodissociation experiments using 2 + n resonance-enhanced
multiphoton ionization with time-of-flight mass spectrometer detection
Patrick J. Pisano and Joseph I. Cline
pp. 6190-6200

 The use of locally dense basis sets in the
calculation of indirect nuclear spin-spin coupling constants: The
vicinal coupling constants in H3C-CH2X (X = H, F, Cl, Br, I)
Patricio F. Provasi, Gustavo A. Aucar, and Stephan P. A. Sauer
pp. 6201-6208

 Rotational spectra of four of the five
conformers of 1-pentene
G. T. Fraser, L.-H. Xu, R. D. Suenram, and C. L. Lugez
pp. 6209-6217

 Reproducing kernel technique for
extracting accurate potentials from spectral data: Potential curves of
the two lowest states X 1[Sigma][g+] and
a 3[Sigma][u+] of the sodium dimer
T.-S. Ho, H. Rabitz, and G. Scoles
pp. 6218-6227

 Electronic properties of mixed barium-oxygen clusters
V. Boutou, M. A. Lebeault, A. R. Allouche, F. Paulig, J. Viallon, C.
Bordas, and J. Chevaleyre
pp. 6228-6236

 Structural information on the S0 and S1
state of o-fluorophenol by hole burning and high resolution
ultraviolet spectroscopy
Karen Remmers, W. Leo Meerts, Anne Zehnacker-Rentien, K. Le Barbu, and
F. Lahmani
pp. 6237-6244

 Coupled-cluster studies of the hyperfine splitting constants of the 
thioformyl radical
Nicholas D. K. Petraco, Steven S. Wesolowski, Matthew L. Leininger,
and Henry F. Schaefer III
pp. 6245-6254

 Scheme for state-selective formation of
highly rotationally excited diatomic molecules
Jing Li, John T. Bahns, and William C. Stwalley
pp. 6255-6261

 A study of the BrO and BrO2 radicals with vacuum ultraviolet 
photoelectron spectroscopy
J. M. Dyke, S. D. Gamblin, N. Hooper, E. P. F. Lee, A. Morris, D. K.
W. Mok, and F. T. Chau
pp. 6262-6274

 Infrared spectroscopy of CH stretching vibrations of jet-cooled alkylbenzene
cations by using the "messenger" technique
Asuka Fujii, Eiji Fujimaki, Takayuki Ebata, and Naohiko Mikami
pp. 6275-6284

 Electronic excitation and oscillator strength of ethyl bromide by vacuum
 ultraviolet photoabsorption and electron energy loss spectroscopy
A. Giuliani, F. Motte-Tollet, J. Delwiche, N. J. Mason, N. C. Jones,
J. M. Gingell, I. C. Walker, and M.-J. Hubin-Franskin
pp. 6285-6292

 The C 3[Pi], d 1[Pi], and e 1[Pi] states  of SO
Christopher P. Archer, John M. F. Elks, and Colin M. Western
pp. 6293-6300

 Polarizabilities of azabenzenes
Patrizia Calaminici, Karl Jug, Andreas M. Köster, Victoria E.
Ingamells, and Manthos G. Papadopoulos
pp. 6301-6308

 Structure and rovibrational analysis of the [O2(1[Delta]g)v = 0]2[<--]
[O2(3[Sigma][g-])v = 0]2 transition of the O2
 dimer
Ludovic Biennier, Daniele Romanini, Alexander Kachanov, Alain
Campargue, Béatrice Bussery-Honvault, and Roger Bacis
pp. 6309-6321

 Theoretical study of multidimensional proton tunneling in the excited 
state of tropolone
Marek J. Wójcik, Hiroki Nakamura, Suehiro Iwata, and Wiktor Tatara
pp. 6322-6328

 Photochromism of salicylideneaniline (SA).
How the photochromic transient is created: A theoretical approach
Marek Z. Zgierski and Anna Grabowska
pp. 6329-6337

CONDENSED PHASE DYNAMICS, STRUCTURE, AND THERMODYNAMICS: SPECTROSCOPY,
REACTIONS, AND RELAXATION


 Orientational and collision-induced
contribution to third-order nonlinear optical response of liquid CS2
Kenji Kiyohara, Kenji Kamada, and Koji Ohta
pp. 6338-6348

 Time-resolved observation of
intermolecular vibrational energy transfer in liquid bromoform
G. Seifert, R. Zürl, T. Patzlaff, and H. Graener
pp. 6349-6354

 Theoretical studies of the fullerene
growth mechanism: Ring-collapse model to C28 and cascade bond
formation
Rama K. Mishra, Ying-Ting Lin, and Shyi-Long Lee
pp. 6355-6364

 On the possibility of performing
self-calibrated selective [pi]/2 pulses in nuclear-magnetic resonance
Daniel Abergel, Alain Louis-Joseph, and Jean-Yves Lallemand
pp. 6365-6370

 Photophysical properties of multiply
phenylated C70 derivatives: Spectroscopic and quantum-chemical
investigations
P.-F. Coheur, J. Cornil, D. A. dos Santos, P. R. Birkett, J. Liévin,
J. L. Brédas, D. R. M. Walton, R. Taylor, H. W. Kroto, and R. Colin
pp. 6371-6381

 A link between the two-body and three-body
interaction energies of fluids from molecular simulation
Gianluca Marcelli and Richard J. Sadus
pp. 6382-6385

 Molecular dynamics simulations of
polarizable water at different boundary conditions
Thomas M. Nymand and Per Linse
pp. 6386-6395

Dynamics of the spin-1 Ising
Blume-Emery-Griffiths model by the path probability method
Mustafa Keskin and Abdulkadir Solak
pp. 6396-6403

SURFACES, INTERFACES, AND MATERIALS


 Electrophoresis of concentrated spherical
particles with a charge-regulated surface
Jyh-Ping Hsu, Eric Lee, and Fong-Yuh Yen
pp. 6404-6410

 Surface tension of the three-dimensional
Lennard-Jones fluid from histogram-reweighting Monte Carlo simulations
Jeffrey J. Potoff and Athanassios Z. Panagiotopoulos
pp. 6411-6415

 Charge carrier interactions in ionic conductors: A classical 
molecular-dynamics and Monte Carlo study on AgI
F. Zimmer, P. Ballone, J. Maier, and M. Parrinello
pp. 6416-6423

 Hydrodynamic slippage inferred from thin
film drainage measurements in a solution of nonadsorbing polymer
Roger G. Horn, Olga I. Vinogradova, Michael E. Mackay, and Nhan
Phan-Thien
pp. 6424-6433

POLYMERS, BIOPOLYMERS, AND COMPLEX SYSTEMS


 Topological repulsion between polymer
globules
Jeffrey Chuang, Alexander Yu. Grosberg, and Toyoichi Tanaka
pp. 6434-6442

 Polymer melts and polymer solutions near
patterned surfaces
Chaok Seok, Karl F. Freed, and Igal Szleifer
pp. 6443-6451

 Polymer blends near patterned surfaces
Chaok Seok, Karl F. Freed, and Igal Szleifer
pp. 6452-6460

 Relaxation phenomena and development of
structure in a physically crosslinked nonionic microemulsion studied
by photon correlation spectroscopy and small angle x-ray scattering
Mario Schwab and Bernd Stühn
pp. 6461-6471

 A reactive potential for hydrocarbons with intermolecular interactions
Steven J. Stuart, Alan B. Tutein, and Judith A. Harrison
pp. 6472-6486

 Rotational dynamics of rodlike polymers in a rod/sphere mixture
J. K. Phalakornkul, A. P. Gast, and R. Pecora
pp. 6487-6494

LETTERS TO THE EDITOR


Notes

 Potential of interaction of a counterion
with a two-dimensional array of fixed charges
Worth E. Vaughan
pp. 6495-6497

Errata

 Erratum: "Theoretical study of the
non-Arrhenius temperature dependence of thermal rate constants for the
H + H2S[-->]H2 + SH reaction" [J. Chem. Phys. 111, 10529 (1999)]

Yuzuru Kurosaki and Toshiyuki Takayanagi
p. 6498