The Journal of Chemical Physics, 2002, V 117, N 21, December 1.
COMMUNICATIONS
Vibrational spectroscopy on single C60 molecules: The role of molecular
orientation
J. I. Pascual, J. Go'mez-Herrero, D. Sa'nchez-Portal, and H.-P. Rust
pp. 9531-9534
Efficient characterization of stationary points on potential energy surfaces
Peter Deglmann and Filipp Furche
pp. 9535-9538
A seven-dimensional quantum study of the H + CH4 reaction
Minghui Yang, Dong H. Zhang, and Soo-Y. Lee
pp. 9539-9542
An ab initio investigation on aromaticities in semiconductor systems
Si-Dian Li, Hong-Lang Yu, Hai-Shun Wu, and Zhi-Hao Jin
pp. 9543-9547
Amorphous structures of Cu, Ag, and Au nanoclusters from first principles
calculations
J. Oviedo and R. E. Palmer
pp. 9548-9551
ARTICLES
Theoretical Methods and Algorithms
Derivation and reflection properties of a transmission-free absorbing potential
David E. Manolopoulos
pp. 9552-9559
Systematic construction of approximate one-matrix functionals for the electron-
electron repulsion energy
Jerzy Cioslowski, Katarzyna Pernal, and Paul Ziesche
pp. 9560-9566
Evaluating shear viscosity: Power dissipated versus entropy produced
Brad Lee Holian
pp. 9567-9568
Wave packet dynamics on adaptive moving grids
Robert E. Wyatt
pp. 9569-9573
Determination of bound-free dissociative couplings via classical Fourier
coefficients
Emmanuel Tannenbaum and Eric J. Heller
pp. 9574-9579
Brillouin-Wigner coupled cluster theory. Fock-space approach
Nicholas D. K. Petraco, Lubos Horny', Henry F. Schaefer III, and Ivan Hubac
pp. 9580-9587
Control of molecular processes by a sequence of linearly chirped pulses
Kuninobu Nagaya, Yoshiaki Teranishi, and Hiroki Nakamura
pp. 9588-9604
Semiclassical initial value representation for the Boltzmann operator in
thermal rate constants
Yi Zhao and William H. Miller
pp. 9605-9610
Complexity of classical dynamics of molecular systems. I. Methodology
Dmitry Nerukh, George Karvounis, and Robert C. Glen
pp. 9611-9617
Complexity of classical dynamics of molecular systems. II. Finite statistical
complexity of a water-Na+ system
Dmitry Nerukh, George Karvounis, and Robert C. Glen
pp. 9618-9622
Relativistic correlating basis functions for the Ga-Kr, In-Xe, and Tl-Rn atoms
You Osanai, Takeshi Noro, and Eisaku Miyoshi
pp. 9623-9629
Density-functional theory of linear and nonlinear time-dependent molecular
properties
Pawel Salek, Olav Vahtras, Trygve Helgaker, and Hans A*gren
pp. 9630-9645
Multiple-quantum nuclear magnetic resonance spin dynamics in disordered rigid
chains and rings
Serge I. Doronin, Edward B. Fel'dman, and Serge Lacelle
pp. 9646-9650
Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry
Rotational spectrum of jet-cooled HfO2 and HfO
Alberto Lesarri, R. D. Suenram, and Dale Brugh
pp. 9651-9662
Photoionization of the primary photoproducts of A(2 [[product]] )-excited ClO
R. Flesch, J. Plenge, S. Ku"hl, M. Klusmann, and E. Ru"hl
pp. 9663-9670
Intermolecular-interaction effects on quantum-phase dynamics of dimer systems
interacting with a two-mode squeezed vacuum field
Masayoshi Nakano and Kizashi Yamaguchi
pp. 9671-9687
Time-dependent density functional calculations of fully [pi] -conjugated zinc
oligoporphyrins
Yoichi Yamaguchi
pp. 9688-9694
Ground state and excitation dynamics in Ag doped helium clusters
Massimo Mella, Maria Carola Colombo, and Gabriele Morosi
pp. 9695-9702
Potential curves and spectroscopic properties for the ground state of ClO and
for the ground and various excited states of ClO-
Seung-Joon Kim, Young-Joo Kim, Chang-Ho Shin, Byung-Jin Mhin, and T. Daniel
Crawford
pp. 9703-9709
Resonances in SN2 reactions: Two-mode quantum calculations for Cl- + CH3Br on a
coupled-cluster potential energy surface
Stefan Schmatz, Peter Botschwina, Jan Hauschildt, and Reinhard Schinke
pp. 9710-9718
Reaction probabilities and reaction cross sections for three-dimensional He + H
[2+] (v) collisions: A time-dependent quantum mechanical
study
Biswajit Maiti, C. Kalyanaraman, Aditya Narayan Panda, and N. Sathyamurthy
pp. 9719-9726
Ring structure of the NO dimer radical cation: A possible new assignment of the
mysterious IR absorption at 1424 cm-1
Yaoming Xie, Wenning Wang, Kangnian Fan, and Henry F. Schaefer III
pp. 9727-9732
On the ground states of CaC and ZnC: A multireference Brillouin-Wigner coupled
cluster study
Ioannis S. K. Kerkines, Jiri' Pittner, Petr Ca'rsky, Aristides Mavridis, and Ivan Hubac
pp. 9733-9739
Negative ion photoelectron spectroscopy of (benzene) [n-]
(n = 53-124) and (toluene) [n-] (n = 33-139): Solvation
energetics of an excess electron in size-selected aromatic hydrocarbon
nanoclusters
Masaaki Mitsui, Atsushi Nakajima, and Koji Kaya
pp. 9740-9749
Pure rotational spectra of the Ar-HN [2+] and the Kr-HN
[2+] ionic complexes
Kouji Seki, Yoshihiro Sumiyoshi, and Yasuki Endo
pp. 9750-9757
Evolution of the electronic properties of small Ni [n-]
(n = 1-100) clusters by photoelectron spectroscopy
Shu-Rong Liu, Hua-Jin Zhai, and Lai-Sheng Wang
pp. 9758-9765
Rotational spectrum of the weakly bonded C6H6-H2S dimer and comparisons to
C6H6-H2O dimer
E. Arunan, T. Emilsson, H. S. Gutowsky, Gerald T. Fraser, G. de Oliveira, and C.
E. Dykstra
pp. 9766-9776
Analysis of the 0 [g-] (3P1)-B [[prime]] 3 [Pi] (0
[u-] ) system of I2 by perturbation-facilitated optical-
optical double resonance
Satoshi Motohiro, Shinsuke Nakajima, Kenji Aoyama, Eriko Kagi, Hisashi Fujiwara,
Masaru Fukushima, and Takashi Ishiwata
pp. 9777-9784
Three-center versus four-center elimination of haloethene: Internal energies of
HCl and HF on photolysis of CF2CHCl at 193 nm determined with time-resolved
Fourier-transform spectroscopy
Chia-Yan Wu, Chao-Yu Chung, Yu-Chang Lee, and Yuan-Pern Lee
pp. 9785-9792
Nonlinear intensity dependence in the infrared multiphoton excitation and
dissociation of methanol pre-excited to different energies
Oleg V. Boyarkin, Thomas R. Rizzo, David Rueda, Martin Quack, and Georg Seyfang
pp. 9793-9805
A time-dependent quantum dynamics study of the H2 + CH3 [-->] H + CH4 reaction
Dunyou Wang
pp. 9806-9810
Investigations into the fragmentation and ionization of highly excited La@C82
A. Lassesson, K. Mehlig, A. Gromov, A. Taninaka, H. Shinohara, and E. E. B.
Campbell
pp. 9811-9817
Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation
ND [4+] and NH3D+ dynamics in ammonium persulphate.
II. Transition from low-to-high-temperature regime
T. Schmidt, H. Schmitt, U. Haeberlen, Z. Olejniczak, and Z. T. Lalowicz
pp. 9818-9827
The binary system triethylamine-water near its critical consolute point: An
ultrasonic spectrometry, dynamic light scattering, and shear viscosity study
Ralph Behrends, Thomas Telgmann, and Udo Kaatze
pp. 9828-9837
Car-Parrinello molecular dynamics simulation of the hydrated calcium ion
I. Bako', J. Hutter, and G. Pa'linka's
pp. 9838-9843
Model for viscoelasticity in a binary mixture
Upendra Harbola and Shankar P. Das
pp. 9844-9849
Theoretical study of the OH/OD stretching regions of the vibrational spectra
of ice Ih
Marek J. Wo'jcik, Krzysztof Szczeponek, and Susumu Ikeda
pp. 9850-9857
Adaptive quantum control of DCM fluorescence in the liquid phase
Sung-Hae Lee, Kyung-Hoon Jung, Jae Hee Sung, Kyung-Han Hong, and Chang Hee Nam
pp. 9858-9861
Protein-trehalose-water structures in trehalose coated carboxy-myoglobin
Grazia Cottone, Giovanni Ciccotti, and Lorenzo Cordone
pp. 9862-9866
Density dependence of the optical Kerr effect of linear molecules
Kenji Kiyohara, Yoshifumi Kimura, Yoshihiro Takebayashi, Noboru Hirota,
and Koji Ohta
pp. 9867-9875
Turbidity of the liquid-liquid mixture perfluoroheptane and 2,2,4-
trimethylpentane near the critical point
Clinton I. Braganza and D. T. Jacobs
pp. 9876-9879
Surfaces, Interfaces, and Materials
Inhomogeneous structure of penetrable spheres with bounded interactions
Soon-Chul Kim and Soong-Hyuck Suh
pp. 9880-9886
Metal nanoparticles as models of single crystal surfaces and supported
catalysts: Density functional study of size effects for CO/Pd(111)
Ilya V. Yudanov, Riadh Sahnoun, Konstantin M. Neyman, and Notker Ro"sch
pp. 9887-9896
Polymers, Biopolymers, and Complex Systems
The gradual transition from mass-controlled to diffusion-controlled kinetics
during melt polymerization
J. Wang and G. P. Johari
pp. 9897-9902
Real-space mean-field approach to polymeric ternary systems
Shigeyuki Komura, Hiroya Kodama, and Keizo Tamura
pp. 9903-9919
Phase behavior of ternary blends of diblock copolymer with homopolymer blends
June Huh and Won Ho Jo
pp. 9920-9926
Changes in flexibility upon binding: Application of the self-consistent pair
contact probability method to protein-protein interactions
Lawrence S. Canino, Tongye Shen, and J. Andrew McCammon
pp. 9927-9933
Finite size effects in pressure measurements for Monte Carlo simulations of
lattice polymer models
M. R. Stukan, V. A. Ivanov, M. Mu"ller, W. Paul, and K. Binder
pp. 9934-9941
Monte Carlo calculation of second and third virial coefficients of linear and
star polymers on lattice
Kazuhito Shida, Kaoru Ohno, Yoshiyuki Kawazoe, and Yo Nakamura
pp. 9942-9946
Phase behavior of mixtures of colloidal platelets and nonadsorbing polymers
Shu-Dong Zhang, Paul A. Reynolds, and Jeroen S. van Duijneveldt
pp. 9947-9958
LETTERS TO THE EDITOR
Notes
Relaxation of a tethered polymer using dynamic mean field calculation
Kenji Furuichi, Chisato Nonomura, Toshihiro Kawakatsu, and Masao Doi
pp. 9959-9960
Errata
Erratum: "Absorption and emission in pinwheel aggregates of oligo-phenylene
vinylene molecules" [J. Chem. Phys. 114, 5376 (2001)]
Frank C. Spano
p. 9961