The Journal of Chemical Physics, 2004, V 120, N 10, March 8.
Photoelectron circular dichroism in core level ionization
of randomly oriented pure enantiomers of the
chiral molecule camphor
Uwe Hergenhahn, Emma E. Rennie, Oliver Kugeler,
Simon Marburger, Toralf Lischke, Ivan Powis, and Gustavo Garcia
pp. 4553-4556
Soft electron impact ionization in crossed molecular
beam reactive scattering: The dynamics of the
O(3P) + C2H2 reaction
Giovanni Capozza, Enrico Segoloni,
Francesca Leonori, Gian Gualberto Volpi,
and Piergiorgio Casavecchia
pp. 4557-4560
Time-dependent probability of quantum tunneling
in terms of the quasisemiclassical method
Hiroshi Ushiyama and Kazuo Takatsuka
pp. 4561-4572
Interfacing Brownian dynamics simulations
T. Geyer, C. Gorba, and V. Helms
pp. 4573-4580
Two-electron integrations in the quantum
theory of atoms in molecules
A. Martin Pendas, M. A. Blanco, and E. Francisco
pp. 4581-4592
Potential-energy surfaces for excited states
in extended systems
A. Hellman, B. Razaznejad, and B. I. Lundqvist
pp. 4593-4602
Effects of higher Jahn-Teller coupling on
the nuclear dynamics
Alexandra Viel and Wolfgang Eisfeld
pp. 4603-4613
On the calculation of single-particle time correlation
functions from Bose–Einstein centroid dynamics
Paul Moffatt, Nicholas Blinov, and Pierre-Nicholas Roy
pp. 4614-4618
Calibration of the n-electron valence state
perturbation theory approach
Remco W. A. Havenith, Peter R. Taylor, Celestino Angeli,
Renzo Cimiraglia, and Kenneth Ruud
pp. 4619-4625
Iterative solutions with energy selected bases
for highly excited vibrations of tetra-atomic molecules
Hee-Seung Lee and John C. Light
pp. 4626-4637
Rotation–tunneling analysis of the origin band
in the tropolone * absorption system
Alfredo E. Bracamonte and Patrick H. Vaccaro
pp. 4638-4657
Differential, partial and total electron impact
ionization cross sections for SF6
Satyendra Pal, J. Kumar, and T. D. Mark
pp. 4658-4663
Vibrational spectra of germanium–carbon clusters.
II. GeC7 and GeC9
D. L. Robbins, K.-C. Chen, C. M. L. Rittby, and W. R. M. Graham
pp. 4664-4671
Dynamic pathway model for the formation of C60
In-Ho Lee, Hanchul Kim, and Jooyoung Lee
pp. 4672-4676
The 1 2A1, 1 2B2, and 1 2A2 states of the SO ion
studied using multiconfiguration
second- perturbation theory
Wen-Zuo Li, Ming-Bao Huang, and Bo-Zhen Chen
pp. 4677-4682
Binding energies of small lithium clusters (Lin)
and hydrogenated lithium clusters (LinH)
Steven E. Wheeler, Kurt W. Sattelmeyer,
Paul v. R. Schleyer, and Henry F. Schaefer III
pp. 4683-4689
Dissociation of hydrogen fluoride in HF(H2O)7
Jer-Lai Kuo and Michael L. Klein
pp. 4690-4695
Bond-selective photodissociation of partially deuterated
ammonia molecules: Photodissociations of vibrationally
excited NHD2 in the 5NH state and NH2D in the 5ND state
Hiroshi Akagi, Keiichi Yokoyama, and Atsushi Yokoyama
pp. 4696-4704
Ab initio analytical potential energy surface and
quasiclassical trajectory study of the
O+(4S) + H2(X 1)OH+(X 3–) + H(2S) reaction and isotopic variants
Rodrigo Martinez, Judith Millan, and Miguel Gonzalez
pp. 4705-4714
The rotational spectrum and theoretical study
of a dinuclear complex, MnRe(CO)10
Chakree Tanjaroon, Kristen S. Keck, Stephen G. Kukolich,
Michael H. Palmer, and Martyn F. Guest
pp. 4715-4725
Low-lying electronic states of FeNC and FeCN: A theoretica
l journey into isomerization and quartet/sextet competition
Nathan J. DeYonker, Yukio Yamaguchi, Wesley D. Allen,
Chaeho Pak, Henry F. Schaefer III, and Kirk A. Peterson
pp. 4726-4741
Analytic solutions for Baxter's model of sticky hard
sphere fluids within closures different from the
Percus–Yevick approximation
Domenico Gazzillo and Achille Giacometti
pp. 4742-4754
Ultrafast collective dynamics in the charge-density-wave
conductor K0.3MoO3
Yuhang Ren, Zhu'an Xu, and Gunter Lupke
pp. 4755-4758
Diffusive dynamics of water in tert-butyl alcohol/water mixtures
Vania Calandrini, Antonio Deriu, Giuseppe Onori,
Ruep E. Lechner, and Jorg Pieper
pp. 4759-4767
Femtosecond absorption study of photodissociation
of diphenylcyclopropenone in solution: Reaction
dynamics and coherent nuclear motion
Satoshi Takeuchi and Tahei Tahara
pp. 4768-4776
Elucidating the role of many-body forces in liquid
water. I. Simulations of water clusters on the
VRT(ASP-W) potential surfaces
Nir Goldman and R. J. Saykally
pp. 4777-4789
Electron spin polarization of the excited quartet
state of strongly coupled triplet–doublet spin systems
Yuri Kandrashkin and Art van der Est
pp. 4790-4799
On the growth and shape of sodium taurodeoxycholate
micellar aggregates: A spin-label and quasielastic
light scattering investigation
Angelo Antonio D'Archivio, Luciano Galantini,
Alberto Panatta, and Enzo Tettamanti
pp. 4800-4807
Dynamics of supercooled and glassy dipropyleneglycol
dibenzoate as functions of temperature and aging:
Interpretation within the coupling model framework
D. Prevosto, S. Capaccioli, M. Lucchesi, P. A. Rolla,
and K. L. Ngai
pp. 4808-4815
The impact of the multipolar distribution on chiral
discrimination in racemates
I. Paci and N. M. Cann
pp. 4816-4828
Many-body potentials for aqueous Li+, Na+, Mg2+, and Al3+:
Comparison of effective three-body potentials
and polarizable models
Daniel Spangberg and Kersti Hermansson
pp. 4829-4843
Hard sphere perturbation theory for fluids with
soft-repulsive-core potentials
Dor Ben-Amotz and George Stell
pp. 4844-4851
Extended rotational diffusion and orientational relaxation
of symmetric top molecules in a strong dc electric field:
Second-rank orientational correlation functions
S. V. Titov, P. M. Dejardin, and Yu. P. Kalmykov
pp. 4852-4859
Molecular dynamics simulations of acetonitrile/dimethyl
sulfoxide liquid mixtures
Edson Bernardi and Hubert Stassen
pp. 4860-4867
Effects of equilibrium H-bond distance and angle
changes on Raman intensities from water
G. E. Walrafen
pp. 4868-4876
Molecular dynamics simulations of gas separations
using faujasite-type zeolite membranes
W. Jia and S. Murad
pp. 4877-4885
Functionalization of carbon nanotubes using phenosafranin
S. A. Curran, A. V. Ellis, A. Vijayaraghavan, and P. M. Ajayan
pp. 4886-4889
An ab initio study of structural properties and
single vacancy defects in Wurtzite AlN
Andrew Hung, Salvy P. Russo, Dougal G. McCulloch,
and Steven Prawer
pp. 4890-4896
Simulating the effect of surfactant structure on bending
moduli of monolayers
Live Rekvig, Bjorn Hafskjold, and Berend Smit
pp. 4897-4905
Adsorption modes of cysteine on Au(111): Thiolate,
amino-thiolate, disulfide
Rosa Di Felice and Annabella Selloni
pp. 4906-4914
Sodium diffusion through amorphous silica surfaces:
A molecular dynamics study
Michael Rarivomanantsoa, Philippe Jund, and Remi Jullien
pp. 4915-4920
Zero-voltage conductance of short gold nanowires
Min Zhuang and Matthias Ernzerhof
pp. 4921-4926
Intrusion and extrusion of water in hydrophobic mesopores
B. Lefevre, A. Saugey, J. L. Barrat, L. Bocquet, E. Charlaix,
P. F. Gobin, and G. Vigier
pp. 4927-4938
A combined molecular dynamics+quantum mechanics
method for investigation of dynamic effects on
local surface structures
Bjorn Herschend, Micael Baudin, and Kersti Hermansson
pp. 4939-4948
Effects of wetting and anchoring on capillary phenomena
in a confined liquid crystal
D. de las Heras, E. Velasco, and L. Mederos
pp. 4949-4957
Hybridization dynamics of surface immobilized DNA
Michael F. Hagan and Arup K. Chakraborty
pp. 4958-4968
Relaxation processes of the liquid crystal ME6N in the
isotropic phase studied by Raman scattering experiments
Maria Grazia Giorgini, Alberto Arcioni, Ciro Polizzi,
Maurizio Musso, and Paolo Ottaviani
pp. 4969-4979
Effects of surfactant micelles on viscosity and conductivity
of poly(ethylene glycol) solutions
Shun-Cheng Wang, Tzu-Chien Wei, Wun-Bin Chen,
and Heng-Kwong Tsao
pp. 4980-4988
Estimation of excess solvation numbers of water and
cosolvents from preferential interaction and volumetric experiments
Seishi Shimizu
pp. 4989-4990
Comment on "Comment on `Constant temperature molecular
dynamics simulations by means of a stochastic collision model.
II. The harmonic oscillator' [J. Chem. Phys. 104, 3732 (1996)]"
[J. Chem. Phys. 106, 1646 (1997)]
Stefan M. Kast
pp. 4991-4992
Erratum: "Isotope dependence of the O + O2 exchange reaction:
Experiment and theory" [J. Chem. Phys. 119, 4700 (2003)]
Paul Fleurat-Lessard, S. Yu. Grebenshchikov, Reinhard Schinke,
Christof Janssen, and Dieter Krankowsky
p. 4993
Erratum: "Analytical implementation and critical tests
of fluid thermodynamic perturbation theory"
[J. Chem. Phys. 119, 10777 (2003)]
Dor Ben-Amotz and George Stell
p. 4994