The Journal of Chemical Physic, 2003, V 118, N 17, 1 May.
COMMUNICATIONS
Dual frequency 2D-IR of peptide amide-A and amide-I modes
I. V. Rubtsov, J. Wang, and R. M. Hochstrasser
pp. 7733-7736
Chemical reactivity of metcar Ti8C12, nanocrystal Ti14C13 and
a bulk TiC(001) surface: A density functional study
Ping Liu, Jose' A. Rodriguez, Hua Hou, and James T. Muckerman
pp. 7737-7740
ARTICLES
Theoretical Methods and Algorithms
Blinking molecules: Determination of photophysical
parameters from the intensity correlation function
Gerhard C. Hegerfeldt and Dirk Seidel
pp. 7741-7746
Monte Carlo simulations using sampling from an
approximate potential
Lev D. Gelb
pp. 7747-7750
Geometry optimizations with the coupled-cluster model
CC2 using the resolution-of-the-identity approximation
Christof Ha"ttig
pp. 7751-7761
A novel path sampling method for the calculation of rate constants
Titus S. van Erp, Daniele Moroni, and Peter G. Bolhuis
pp. 7762-7774
An improved 6-31G* basis set for first-row transition metals
Alexander V. Mitin, Jon Baker, and Peter Pulay
pp. 7775-7782
Converting Kohn–Sham eigenenergies into electron binding energies
Julius Jellinek and Paulo H. Acioli
pp. 7783-7796
Gas Phase Dynamics and Structure: Spectroscopy, Molecular Interactions, Scattering, and Photochemistry
The water–hydroxyl radical complex: A matrix isolation study
Anders Engdahl, Gunnar Karlstro"m, and Bengt Nelander
pp. 7797-7802
Pure rotational spectrum of the NCCS radical studied by
Fourier-transform microwave spectroscopy
Masakazu Nakajima, Yoshihiro Sumiyoshi, and Yasuki Endo
pp. 7803-7807
Reactions of gold cluster cations Au [n+]
(n = 1–12) with H2S and H2
Ko-ichi Sugawara, Frank Sobott, and Andrei B. Vakhtin
pp. 7808-7816
Doppler-free high resolution laser spectroscopy of the Na2 C
[Pi] u state: Perturbation and predissociation
Md. Humayun Kabir, Toyoki Shinano, and Shunji Kasahara
pp. 7817-7822
High level theoretical study of the structure and rotational
barriers of trans-stilbene
S. P. Kwasniewski, L. Claes, J.-P. Franc,ois, and M. S. Deleuze
pp. 7823-7836
Photoassociation of ultracold K atoms: Observation of high lying
levels of the 1g~1 1 [Pi] g molecular state of K2
M. Pichler, H. M. Chen, H. Wang, W. C. Stwalley, A. J. Ross,
F. Martin, M. Aubert-Fre'con, and I. Russier-Antoine
pp. 7837-7845
Mixed quantum-classical study of energy transfer in a
Na+ collision with a peptide
Ming L. Wang and J. Z. H. Zhang
pp. 7846-7856
Study of vibrational interactions in DCO+ by millimeter-wave
spectroscopy and determination of the equilibrium structure of the formyl ion
Luca Dore, Sabina Beninati, Cristina Puzzarini, and Gabriele Cazzoli
pp. 7857-7862
Pulsed discharge nozzle cavity ringdown spectroscopy of
cold polycyclic aromatic hydrocarbon ions
Ludovic Biennier, Farid Salama, Louis J. Allamandola,
and James J. Scherer
pp. 7863-7872
Infrared spectroscopy of the isomers of magnesium–HCN
formed in helium nanodroplets: Comparisons with ab initio calculations
P. L. Stiles, D. T. Moore, and R. E. Miller
pp. 7873-7881
Nonadiabatic coupling effects on the short time signal
in four-wave mixing experiments
J. P. Lavoine and A. J. Boeglin
pp. 7882-7887
Condensed Phase Dynamics, Structure, and Thermodynamics: Spectroscopy, Reactions, and Relaxation
Determination of the friction coefficient of a Brownian particle
by molecular-dynamics simulation
F. Ould-Kaddour and D. Levesque
pp. 7888-7891
Microscopic observation and in situ Raman scattering studies on
high-pressure phase transformations of a synthetic nitrogen hydrate
Shigeo Sasaki, Shinsuke Hori, Tetsuji Kume, and Hiroyasu Shimizu
pp. 7892-7897
Tunneling currents in long-distance electron transfer reactions.
V. Effective one electron approximation
Alexei A. Stuchebrukhov
pp. 7898-7906
Monte Carlo simulations for the phase behavior of symmetric
nonadditive hard sphere mixtures
Kamakshi Jagannathan and Arun Yethiraj
pp. 7907-7911
Thermophysical properties of liquid refractory metals: Comparison
between hard sphere model calculation and electrostatic
levitation measurements
Takehiko Ishikawa, Paul-Franc,ois Paradis, Toshio Itami,
and Shinichi Yoda
pp. 7912-7920
Aqueous Na+Cl– pair association from liquidlike to steamlike
densities along near-critical isotherms
A. A. Chialvo and J. M. Simonson
pp. 7921-7929
Density profiles of a hard disk mixture inside a small circular
cavity: Effect of the conservation of the total angular momentum
F. L. Roma'n, A. Gonza'lez, J. A. White, and S. Velasco
pp. 7930-7936
Budding and fission dynamics of two-component vesicles
Satoru Yamamoto and Shi-aki Hyodo
pp. 7937-7943
Different thermodynamic pathways to the solvation free
energy of a spherical cavity in a hard sphere fluid
Yng-gwei Chen and John D. Weeks
pp. 7944-7953
Dynamic and structural behavior of different rigid
nonpolarizable models of water
Carlos Nieto-Draghi, Josep Bonet Avalos,
and Bernard Rousseau
pp. 7954-7964
Waiting time distribution and nonexponential relaxation
in single molecule spectroscopic studies:
Realization of entropic bottleneck in a simple model
Dwaipayan Chakrabarti and Biman Bagchi
pp. 7965-7972
Freezing in one-dimensional liquids
Kenichiro Koga
pp. 7973-7980
Surfaces, Interfaces, and Materials
The measurement of the solid–liquid surface free energy of xenon
I. Stalder and J. H. Bilgram
pp. 7981-7984
Temperature dependence of phonon sidebands in line-narrowed
fluorescence spectra of chromophores in glasses
Nina Verdal and Anne Myers Kelley
pp. 7985-7992
A density functional approach to chemical reaction equilibria
in confined systems: Application to dimerization
Sandeep Tripathi and Walter G. Chapman
pp. 7993-8003
Long-ranged solvation forces in a fluid with short-ranged interactions
Alexander J. Pertsin and Michael Grunze
pp. 8004-8009
Incidence angle dependence of scattering and dissociation of O2 on
Al(111): Possible weakly bound molecular precursors
Olaf Wei?e, Claudia Wesenberg, Marcello Binetti, Eckart Hasselbrink,
Ce'cile Corriol, George R. Darling, and Stephen Holloway
pp. 8010-8015
An advanced electric probing system: Measuring DNA derivatives
Kei Shimotani, Taishi Shigematsu, Chikara Manabe,
Hiroyuki Watanabe, and Masaaki Shimizu
pp. 8016-8022
Effects of particulate curvature and sizes of charged species
on the adsorption of a biocolloid bearing nonuniformly
distributed fixed charges
Yung-Chih Kuo
pp. 8023-8032
Interaction of NO(v = 12) with LiF(001): Evidence for anomalously
large vibrational relaxation rates
Alec M. Wodtke, Yuhui Huang, and Daniel J. Auerbach
pp. 8033-8041
Polymers, Biopolymers, and Complex Systems
Effects of confinement on protein folding and protein stability
G. Ping, J. M. Yuan, M. Vallieres, H. Dong, Z. Sun, Y. Wei, F. Y. Li, and S. H. Lin
pp. 8042-8048
Computer modeling of synthesis of proteinlike copolymer via
copolymerization with simultaneous globule formation
Anatolii V. Berezkin, Pavel G. Khalatur, and Alexei R. Khokhlov
pp. 8049-8060
Translational diffusion of polymer chains with excluded volume
and hydrodynamic interactions by Brownian dynamics simulation
Bo Liu and Burkhard Du"nweg
pp. 8061-8072
Negative thermodiffusion of polymers and colloids in solvent mixtures
Berend-Jan de Gans, Rio Kita, Beate Mu"ller, and Simone Wiegand
pp. 8073-8081
Quantum chemical investigation of biexcitons in conjugated polymers
Melissa A. Pasquinelli and David Yaron
pp. 8082-8092
Polymer depletion interaction of small mesoscopic particles:
Effects beyond leading and anisotropic particles
E. Eisenriegler, A. Bringer, and R. Maassen
pp. 8093-8105
Effects of confinement and crowding on the thermodynamics
and kinetics of folding of a minimalist [beta] -barrel protein
Miriam Friedel, Daniel J. Sheeler, and Joan-Emma Shea
pp. 8106-8113
LETTERS TO THE EDITOR
Comments
Comment on "Transport equations for concentrated electrolyte solutions:
Reference frame, mutual diffusion" [J. Chem. Phys. 116, 2085 (2002)]
B. U. Felderhof
pp. 8114-8115
Response to "Comment on `Transport equations for concentrated
electrolyte solutions: Reference frame, mutual diffusion' "
[J. Chem. Phys. 118, 8114 (2003)]
J.-F. Dufre^che, O. Bernard, M. Jardat, and P. Turq
pp. 8116-8117