The Journal of Chemical Physics, 2000, V 112, N 15, April 15.

COMMUNICATIONS

 A quantitative study of non-Condon effects
in the S2O [C-tilde ][-->][X-tilde] emission spectrum
F. Iachello, F. Pérez-Bernal, T. Müller, and P. H. Vaccaro
pp. 6507-6510

 Measurement of radiation damping rate
constants in nuclear magnetic resonance by inversion recovery and
automated compensation of selective pulses
Jin-Hong Chen, Brian Cutting, and Geoffrey Bodenhausen
pp. 6511-6514

 The singlet-triplet separation in
dichlorocarbene: A surprising difference between theory and experiment
Christopher J. Barden and Henry F. Schaefer III
pp. 6515-6516

THEORETICAL METHODS AND ALGORITHMS

 Efficient real-space approach to
time-dependent density functional theory for the dielectric response
of nonmetallic crystals
F. Kootstra, P. L. de Boeij, and J. G. Snijders
pp. 6517-6531

 A complete basis set model chemistry. VII.
Use of the minimum population localization method
J. A. Montgomery, Jr., M. J. Frisch, J. W. Ochterski, and G. A.
Petersson
pp. 6532-6542

 Mixed quantum-classical surface hopping dynamics
Steve Nielsen, Raymond Kapral, and Giovanni Ciccotti
pp. 6543-6553

 Maximum-entropy calculation of energy distributions  Douglas Poland
pp. 6554-6562

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


 A dipole-bound dianion Piotr Skurski and Jack Simons
pp. 6563-6570

 Density functional study of carbonic acid clusters
P. Ballone, B. Montanari, and R. O. Jones
pp. 6571-6575

 Infrared spectra of the CS [2-], 
CS[2+], and C2S
[4 + ] molecular ions in solid neon and argon
Mingfei Zhou and Lester Andrews
pp. 6576-6582

 Photodissociation spectroscopy of Ca+(C2H4)
J. H. Holmes, P. D. Kleiber, D. A. Olsgaard, and K.-H. Yang
pp. 6583-6589

 OH vibrational activation and decay
dynamics of CH4-OH entrance channel complexes
Martyn D. Wheeler, Maria Tsiouris, Marsha I. Lester, and György
Lendvay
pp. 6590-6602

 The third-order polarizability [gamma] of C60: The role of low-lying 
two-electron excited singlet states Ag and Hg
Yasushi Nomura, Takashi Miyamoto, Toshiki Hara, Susumu Narita, and
Tai-ichi Shibuya
pp. 6603-6607

 Theoretical investigation of the eight
low-lying electronic states of the cis- and trans-nitric oxide dimers
and its isomerization using multiconfigurational second-order
perturbation theory (CASPT2)
R. Sayós, R. Valero, J. M. Anglada, and Miguel González
pp. 6608-6624

 Proton-transport catalysis and proton-abstraction reactions: An ab initio 
dynamical study of X + HOC+ and XH+ + CO (X=Ne, Ar, and Kr)
Michael A. Collins, Simon Petrie, Andrew J. Chalk, and Leo Radom
pp. 6625-6634

 Ab initio calculation of energies and lifetimes of metastable dianions: 
The C[22 - ] resonance
T. Sommerfeld, F. Tarantelli, H.-D. Meyer, and L. S. Cederbaum
pp. 6635-6642

 Solvent-induced stabilization of the naphthalene anion by water molecules: A 
negative cluster ion photoelectron spectroscopic study
Svetlana A. Lyapustina, Shoujun Xu, J. Michael Nilles, and Kit H.Bowen, Jr.
pp. 6643-6648

 Time-resolved k(E*) measurements for dissociation of allyl iodide 
vibrationally excited via C-H overtones (v = 6)
Alexey V. Baklanov, Mattias Aldener, Bosse Lindgren, and Ulf
Sassenberg
pp. 6649-6655

 Photodissociation dynamics of propyne at 157 nm
S. Harich, J. J. Lin, Y. T. Lee, and X. Yang
pp. 6656-6665

 The resonant Auger electron spectrum of C 1s-1[pi]* excited ethene: 
A combined theoretical and experimental investigation
Reinhold F. Fink, Stacey L. Sorensen, Arnaldo Naves de Brito, Andrus
Ausmees, and Svante Svensson
pp. 6666-6677

 The electronic origin and vibrational levels of the first excited 
singlet state of isocyanic acid (HNCO)
H. Laine Berghout, F. Fleming Crim, Mikhail Zyrianov, and Hanna
Reisler
pp. 6678-6688

 Rotational and translational energy
distributions of CN(v = 0,J) from the hot atom reactions: H +
XCN[-->]HX + CN(v = 0,J), where X = Br, Cl, and CN
G. He, I. Tokue, and R. Glen Macdonald
pp. 6689-6699

 Fluorescence and electronic absorption
spectra of phthalan: Two-dimensional vibrational potential energy
surface for the ring-puckering and flapping in the S1([pi],[pi]*)
state
Eugene Bondoc, Sachie Sakurai, Kevin Morris, Whe-Yi Chiang, and Jaan
Laane
pp. 6700-6706

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


 Low-energy electron-energy-loss spectroscopy of condensed acetone: 
Electronic transitions and resonance-enhanced vibrational excitations
M. Lepage, M. Michaud, and L. Sanche
pp. 6707-6715

 A phenomenological description of the anomalous behavior of the 
electrical double layer at low temperatures
Douglas Henderson
pp. 6716-6718

 Effects of bath relaxation on dissipative two-state dynamics
Jianshu Cao
pp. 6719-6724

 Impulsive stimulated thermal scattering
study of structural relaxation in supercooled glycerol
Dora M. Paolucci and Keith A. Nelson
pp. 6725-6732

 Sequential addition of particles: Integral equations
Q. Wang, P. Danwanichakul, and E. D. Glandt
pp. 6733-6738

 High pressure Raman scattering studies on adamantane
Rekha Rao, T. Sakuntala, S. K. Deb, A. P. Roy, V. Vijaykumar, B. K.
Godwal, and S. K. Sikka
pp. 6739-6744

 Calculations on the stability of low
temperature solid nitrogen phases
Robert Fabianski, Bogdan Kuchta, Lucyna Firlej, and Richard D. Etters
pp. 6745-6748

SURFACES, INTERFACES, AND MATERIALS


 Microscopic calculation of surface linear optical response in crystals of 
para-nitroaniline
M. Malagoli and R. W. Munn
pp. 6749-6756

 Microscopic calculation of surface-induced
second-harmonic generation in crystals of para-nitroaniline
M. Malagoli and R. W. Munn
pp. 6757-6762

 Microscopic calculations of linear and
quadratic optical response in model Langmuir-Blodgett multilayers
M. in het Panhuis and R. W. Munn
pp. 6763-6773

 Asymmetry and rectification in the tunnel
current of a nanometer-sized metal-conjugated polymer-metal junction
S.-T. Yau, C. Zhang, and P. C. Innis
pp. 6774-6778

 Modeling proton mobility in acidic zeolite clusters. I. Convergence of
 transition state parameters from quantum chemistry
Justin T. Fermann, Cristian Blanco, and Scott Auerbach
pp. 6779-6786

 Modeling proton mobility in acidic zeolite clusters: II. Room temperature
 tunneling effects from semiclassical rate theory
Justin T. Fermann and Scott Auerbach
pp. 6787-6794

 Pattern formation in restricted geometries: The NO + CO reaction on Pt(100)
Nils Hartmann, Yannis Kevrekidis, and Ronald Imbihl
pp. 6795-6803

 Sum frequency generation orientation analysis of molecular ammonia on the 
surface of concentrated solutions
Danielle Simonelli and Mary Jane Shultz
pp. 6804-6816

 Adsorption of water on the NaCl(001) surface. II. An infrared study at ambient
temperatures
Michelle C. Foster and George E. Ewing
pp. 6817-6826

 Adsorption of water on the NaCl(001) surface. III. Monte Carlo simulations 
at ambient temperatures
Ola Engkvist and Anthony J. Stone
pp. 6827-6833

 Molecular wire conductance: Electrostatic potential spatial profile
Vladimiro Mujica, Adrian E. Roitberg, and Mark Ratner
pp. 6834-6839

 Tuning surface reactivity by in situ surface nanostructuring
G. Costantini, F. Buatier de Mongeot, S. Rusponi, C. Boragno, U.
Valbusa, L. Vattuone, U. Burghaus, L. Savio, and M. Rocca
pp. 6840-6843

POLYMERS, BIOPOLYMERS, AND COMPLEX SYSTEMS


 Self-diffusion and interaction of the
polystyrene-polyisoprene blend in chloroform probed by quasielastic
light scattering
Z. Sun and C. H. Wang
pp. 6844-6850

 Molecular dynamics of folding of secondary
structures in Go-type models of proteins
Trinh Xuan Hoang and Marek Cieplak
pp. 6851-6862

 Effective interaction between monolayers
of block copolymer compatiblizer in a polymer blend
R. B. Thompson and M. W. Matsen
pp. 6863-6872

 Measurements of homogeneous nucleation in normal-alkanes
H. Kraack, E. B. Sirota, and M. Deutsch
pp. 6873-6885

 Two-step phase separation of a polymer
mixture. I. New scaling analysis for the main scattering peak
Takeji Hashimoto, Masaki Hayashi, and Hiroshi Jinnai
pp. 6886-6896

 Two-step phase separation of a polymer
mixture. II. Time evolution of structure factor
Masaki Hayashi, Hiroshi Jinnai, and Takeji Hashimoto
pp. 6897-6909

 A Monte Carlo study of the structural
properties of end-linked polymer networks
Nisha Gilra, Claude Cohen, and A. Z. Panagiotopoulos
pp. 6910-6916

 Simulated phase behavior of reversibly assembled polymers
B. Fodi and R. Hentschke
pp. 6917-6924

 Equilibrium and nonequilibrium effects of
a single polymer chain during cyclic deformation: A Monte Carlo study
Stefan Kreitmeier
pp. 6925-6932

 Lifetime of spatially heterogeneous
dynamic domains in polystyrene melts
Chia-Ying Wang and M. D. Ediger
pp. 6933-6937

LETTERS TO THE EDITOR


Comments

 Comment on "Frequency-dependent
polarizabilities, hyperpolarizabilities, and excitation energies from
time-dependent density-functional theory based on the quasienergy
derivative method" [J. Chem. Phys. 111, 2878 (1999)]
Arup Banerjee and Manoj K. Harbola
p. 6938

 Response to "Comment on
`Frequency-dependent polarizabilities, hyperpolarizabilities, and
excitation energies from time-dependent density-functional theory
based on the quasienergy derivative method' " [J. Chem. Phys. 112,
6938 (2000)]
Fumihiko Aiga, Tsukasa Tada, and Reiko Yoshimura
p. 6939

Errata

 Erratum: "A new (and better) lower bound
for the excess internal energy of the one-component plasma" [J. Chem.
Phys. 111, 9695 (1999)]
J. M. Caillol
p. 6940