The Journal of Chemical Physics, 2002, V 117, N 24, December 22.
COMMUNICATIONS
Anomalous charge-transfer behavior in the scattering of hyperthermal Br+(3P2)
on Pt(111)
M. Maazouz, P. L. Maazouz, and D. C. Jacobs
pp. 10917-10920
SPECIAL TOPIC: SINGLE-MOLECULE PHYSICS AND CHEMISTRY
Single-molecule optical spectroscopy of autofluorescent proteins
W. E. Moerner
pp. 10925-10937
Single-molecule spectroscopy: The road ahead
Michel Orrit
pp. 10938-10946
Vibrational spectroscopy and imaging of single molecules: Bonding of CO to
single palladium atoms on NiAl(110)
N. Nilius, T. M. Wallis, and W. Ho
pp. 10947-10952
Fluorescent probes and bioconjugation chemistries for single-molecule
fluorescence analysis of biomolecules
Achillefs N. Kapanidis and Shimon Weiss
pp. 10953-10964
Probing single-molecule dynamics photon by photon
Haw Yang and X. Sunney Xie
pp. 10965-10979
Current status of single-molecule spectroscopy: Theoretical aspects
YounJoon Jung, Eli Barkai, and Robert J. Silbey
pp. 10980-10995
ARTICLES
Special Topic: Single-Molecule Physics and Chemistry
Direct measurements of memory effects in single-molecule kinetics
Shilong Yang and Jianshu Cao
pp. 10996-11009
Single-molecule dynamics of semiflexible Gaussian chains
Shilong Yang, James B. Witkoskie, and Jianshu Cao
pp. 11010-11023
Single-molecule approach to dispersed kinetics and dynamic disorder: Probing
conformational fluctuation and enzymatic dynamics
X. Sunney Xie
pp. 11024-11032
Single-molecule chemistry
W. Ho
pp. 11033-11061
Theoretical Methods and Algorithms
Image charges in spherical geometry: Application to colloidal systems
Rene' Messina
pp. 11062-11074
Quantum-classical Liouville approach to molecular dynamics: Surface hopping
Gaussian phase-space packets
Illia Horenko, Christian Salzmann, Burkhard Schmidt, and Christof Schu"tte
pp. 11075-11088
Correlated line broadening in multidimensional vibrational spectroscopy
Ravindra Venkatramani and Shaul Mukamel
pp. 11089-11101
Effects of dipole alignment and channel interference on two-photon absorption
cross sections of two-dimensional charge-transfer systems
Peter Cronstrand, Yi Luo, and Hans A*gren
pp. 11102-11106
Optimization of density matrix functionals by the Hartree-Fock-Bogoliubov
method
Viktor N. Staroverov and Gustavo E. Scuseria
pp. 11107-11112
Helium dimer dispersion forces and correlation potentials in density functional
theory
Mark J. Allen and David J. Tozer
pp. 11113-11120
Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry
The 248 nm photolysis of NO2/N2O4: Time-resolved Fourier transform infrared
emission from NO and NO2, and quenching of NO (v = 5-8)
Claire Morrell, Ciara Breheny, Vanessa Haverd, Aimee Cawley, and Gus Hancock
pp. 11121-11130
Role of isomerization channel in unimolecular dissociation reaction H2CO [-->]
H2 + CO: Ab initio global potential energy surface and classical trajectory
analysis
Takehiro Yonehara and Shigeki Kato
pp. 11131-11138
Quantum dynamics of the photoinitiated unimolecular dissociation of HOCO
Hua-Gen Yu and James T. Muckerman
pp. 11139-11145
Vibronic spectroscopy of the H-bonded aminophenol-water complex
P. S. Meenakshi, N. Biswas, and S. Wategaonkar
pp. 11146-11151
Fate of isolated CH(B2 [Sigma] -,v = 0,J) states in inelastic collisions with CO
M. Kind, P. Meden, and F. Stuhl
pp. 11152-11157
On the theoretical determination of the static dipole polarizability of
intermediate size silicon clusters
Vi'ctor E. Bazterra, Mari'a C. Caputo, Marta B. Ferraro, and Patricio Fuentealba
pp. 11158-11165
(599 kB)
Elastic and rotationally inelastic differential cross sections for He + H2O
collisions
Jesko Brudermann, Christof Steinbach, Udo Buck, Konrad Patkowski, and Robert Moszynski
pp. 11166-11174
Heats of formation of phosphorus compounds determined by current methods of
computational quantum chemistry
Naomi L. Haworth and George B. Bacskay
pp. 11175-11187
Thermal decomposition of iso-propanol: First-principles prediction of total and
product-branching rate constants
B. H. Bui, R. S. Zhu, and M. C. Lin
pp. 11188-11195
Ground and excited states of linked and fused zinc porphyrin dimers: Symmetry
adapted cluster (SAC)-configuration interaction (CI) study
T. Miyahara, H. Nakatsuji, J. Hasegawa, A. Osuka, N. Aratani, and A. Tsuda
pp. 11196-11207
Spin-orbit interactions, new spectral data, and deperturbation of the coupled b
3 [[product]] u and A 1 [[summation]] [u+] states of K2
M. R. Manaa, A. J. Ross, F. Martin, P. Crozet, A. M. Lyyra, Li Li, C. Amiot, and
T. Bergeman
pp. 11208-11215
Energy profile of the interconversion path between T-shape and slipped-parallel
benzene dimers
Seiji Tsuzuki, Tadafumi Uchimaru, Ko-ichi Sugawara, and Masuhiro Mikami
pp. 11216-11221
Nondissociative low-energy electron attachment to SF6, C6F6, C10F8, and
c-C7F14: Negative ion lifetimes
L. Suess, R. Parthasarathy, and F. B. Dunning
pp. 11222-11227
Effect of nonresonant frequencies on the enhancement of quantum beat amplitudes
in rovibrational states of Li2: The role of state spacing
Elizabeth Mirowski, Hans U. Stauffer, Joshua B. Ballard, Bo Zhang, Craig L.
Hetherington, and Stephen R. Leone
pp. 11228-11238
Temperature dependent partition functions and equilibrium constant for HCN and HNC
R. J. Barber, Gregory J. Harris, and Jonathan Tennyson
pp. 11239-11243
Density dependence of the hydrodynamic response to SF6 rotation in superfluid
helium
Patrick Huang and K. Birgitta Whaley
pp. 11244-11264
Vibrational energies for NH3 based on high level ab initio potential energy
surfaces
Hai Lin, Walter Thiel, Sergei N. Yurchenko, Miguel Carvajal, and Per Jensen
pp. 11265-11276
Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation
A second-order Kubo response theory-centroid approach to vibrational energy
relaxation for single-mode excitations
Jens Aage Poulsen, Gunnar Nyman, and Peter J. Rossky
pp. 11277-11283
Force correlation functions and the diffusion coefficient of water
Glenn T. Evans
pp. 11284-11291
Effect of defects on the line shape of electron paramagnetic resonance signals
from the single-molecule magnet Mn12: A theoretical study
Kyungwha Park, N. S. Dalal, and P. A. Rikvold
pp. 11292-11300
Coupling between molecular rotations and OH [[centered ellipsis]] O motions in
liquid water: Theory and experiment
G. Gallot, S. Bratos, S. Pommeret, N. Lascoux, J-Cl. Leicknam, M. Kozinski,
W. Amir, and G. M. Gale
pp. 11301-11309
Surfaces, Interfaces, and Materials
Adsorption of H2, 2H2, O2, and CO on ZrB2(0001)
Takashi Aizawa, Wataru Hayami, and Shigeki Otani
pp. 11310-11314
Magneto-chiral anisotropy in charge transport through single-walled carbon
nanotubes
V. Krstic, S. Roth, M. Burghard, K. Kern, and G. L. J. A. Rikken
pp. 11315-11319
Stacking faults in colloidal crystals grown by sedimentation
Jacob P. Hoogenboom, Didi Derks, Peter Vergeer, and Alfons van Blaaderen
pp. 11320-11328
Pressure-induced structural transformations in a medium-sized silicon
nanocrystal by tight-binding molecular dynamics
R. Martona'k, L. Colombo, C. Molteni, and M. Parrinello
pp. 11329-11335
ion and desorption kinetics in the reaction of H + D/Si(100) and the relation
to surface structure
Atsushi Kubo, Yasuhiro Ishii, and Masahiro Kitajima
pp. 11336-11346
The effect of two-exciton states on the linear absorption of the third
molecular level in linear molecular aggregates
Xiaoshuang Chen and Takayoshi Kobayashi
pp. 11347-11351
Carbon cluster coagulation and fragmentation kinetics in shocked hydrocarbons
J. A. Viecelli and J. N. Glosli
pp. 11352-11358
Polymers, Biopolymers, and Complex Systems
Thermodynamics and phase behavior of the lamellar Zwanzig model
Ludger Harnau, David Rowan, and Jean-Pierre Hansen
pp. 11359-11365
Theoretical and experimental studies of the opto-electronic properties of
positively charged oligo(phenylene vinylene)s: Effects of chain length and
alkoxy substitution
F. C. Grozema, L. P. Candeias, M. Swart, P. Th. van Duijnen, J. Wildeman,
G. Hadziioanou, L. D. A. Siebbeles, and J. M. Warman
pp. 11366-11378
Exploring the energy landscape of proteins: A characterization of the
activation-relaxation technique
Guanghong Wei, Normand Mousseau, and Philippe Derreumaux
pp. 11379-11387
Computer simulations of pure and mixed systems of disklike particles
interacting with the S-function Corner potential
Giorgio Cinacchi and Alessandro Tani
pp. 11388-11395
A permeation theory for single-file ion channels: Corresponding occupancy
states produce Michaelis-Menten behavior
Peter Hugo Nelson
pp. 11396-11403
LETTERS TO THE EDITOR
Errata
Publisher's Note: "Two-color three pulse photon echo peak shift spectroscopy"
[J. Chem. Phys. 116, 6243 (2002)]
Ritesh Agarwal, Bradley S. Prall, Abbas H. Rizvi, Mino Yang, and Graham R. Fleming
p. 11404
Erratum: "Monte Carlo study of liquid crystal phases of hard and soft
spherocylinders" [J. Chem. Phys. 117, 2934 (2002)]
A. Cuetos, B. Marti'nez-Haya, L. F. Rull, and S. Lago
p. 11405