The Journal of Chemical Physics, 2002, V 117, N 8, 22 August.
COMMUNICATIONS
TE Foreign and native coordination effects in core-level spectra of
mixed Be-Mg clusters
AU N.V.Dobrodey, A.I.Streltsov, L.S.Cederbaum, C.Villani, and F.Tarantelli
PP 3533-3536
TE Self-assembly of globular particles in a nematic dispersion of
colloidal rods
AU Paul van der Schoot
PP 3537-3540
ARTICLES
Theoretical Methods and Algorithms
TE Degenerate perturbation theory corrections for the vibrational
self-consistent field approximation: Method and applications
AU Nikita Matsunaga, Galina M.Chaban, and R.Benny Gerber
PP 3541-3547
TE Wavelets in curvilinear coordinate quantum calculations:
H_{2}^{+} electronic states
AU A.Maloney, James L.Kinsey, and Bruce R.Johnson
PP 3548-3557
TE An effective potential function with enhanced
charge-transfer-type interaction for hydrogen-bonding liquids
AU Kazuhiko Honda
PP 3558-3569
TE Screening and the quantitative pi-model description of the
optical spectra and polarizations of phenyl based oligomers
AU C.W.M.Castleton and W.Barford
PP 3570-3582
TE Rotational Brownian motion of a pair of linear molecules or
dipoles with anisotropic interaction
AU B.U.Felderhof
PP 3583-3596
TE Third-order Douglas-Kroll ab initio model potential for actinide
elements
AU Jozef Paulovic, Takahito Nakajima, Kimihiko Hirao, and Luis Seijo
PP 3597-3604
TE Theory of solutions in the energy representation. II. Functional
for the chemical potential
AU Nobuyuki Matubayasi and Masaru Nakahara
PP 3605-3616
TE Renormalized coupled-cluster calculations of reactive potential
energy surfaces: A comparison of the CCSD(T), renormalized CCSD(T), and full
configuration interaction results for the collinear BeFH system
AU Michael J.McGuire, Karol Kowalski, and Piotr Piecuch
PP 3617-3624
TE Wavelet approximation of correlated wave functions. II.
Hyperbolic wavelets and adaptive approximation schemes
AU Hongjun Luo, Dietmar Kolb, Heinz-Juergen Flad,
Wolfgang Hackbusch, and Thomas Koprucki
PP 3625-3638
Gas Phase Dynamics and Structure: Spectroscopy, Molecular,
Interactions, Scattering, and Photochemistry
TE Potential energy curves and dipole transition moments for excited electronic
states of XeKr and ArNe
AU Ioannis D.Petsalakis, Giannoula Theodorakopoulos,
Heinz-Peter Liebermann, and Robert J.Buenker
PP 3639-3646
TE Quantum dynamics of the N(^{4}S)+O_{2} reaction on the X ^{2}A'
and a ^{4}A' surfaces: Reaction probabilities, cross sections, rate constants,
and product distributions
AU Paolo Defazio, Carlo Petrongolo, Carolina Oliva, Miguel Gonzalez, and Ramon
Sayos
PP 3647-3655
TE S_{1}-S_{0} vibronic spectra of benzene clusters revisited. I.
The tetramer
AU Toshifumi Iimori and Yasuhiro Ohshima
PP 3656-3674
TE S_{1}-S_{0} vibronic spectra of benzene clusters revisited. II. The trimer
AU Toshifumi Iimori, Yasuhito Aoki, and Yasuhiro Ohshima
PP 3675-3686
TE Nondipole bound anions: Be_{2}^{-} and Be_{3}^{-}
AU Ilya G.Kaplan, Olga Dolgounitcheva, John D.Watts, and J.V.Ortiz
PP 3687-3693
TE Laser spectroscopy of NiBr: Ground and low-lying electronic states
AU J.W-H.Leung, Xianghuai Wang, and A.S-C.Cheung
PP 3694-3700
TE Multiphoton ionization and density functional studies of
pyrimidine-(water)_{n} clusters
AU Bailin Zhang, Yong Cai, Xiaolan Mu, Nanquan Lou, and Xiuyan Wang
PP 3701-3710
TE Vibrational structure in the optical response of small Li-cluster ions
AU Christoph Ellert, Martin Schmidt, Hellmut Haberland,
Vincent Veyret, and Vlasta Bonacic-Koutecky
PP 3711-3714
TE Theoretical electronic structure of the lowest-lying states of
the LaF molecule
AU H.Fahs, A.R.Allouche, M.Korek, and M.Aubert-Frecon
PP 3715-3720
TE Electron attachment time-of-flight mass spectrometry reveals
geometrical shell closings in van der Waals aggregates
AU Oddur Ingolfsson and Alec M.Wodtke
PP 3721-3732
TE Conical intersections and the nonadiabatic reactions
H_{2}O+O(^{3}P)<-->OH(A ^{2}Sigma^{+})+OH(X ^{2}Pi)
AU Spiridoula Matsika and David R.Yarkony
PP 3733-3740
TE Measurements of microwave spectra and structural parameters for
methylferrocene
AU David S.Margolis, Chakree Tanjaroon, and Stephen G.Kukolich
PP 3741-3747
Condensed Phase Dynamics, Structure, and Thermodynamics:
Spectroscopy, Reactions, and Relaxation
TE Infrared spectroscopy of biphenyl under hydrostatic pressure
AU K.K.Zhuravlev and M.D.McCluskey
PP 3748-3752
TE The structure of a concentrated aqueous solution of tertiary
butanol: Water pockets and resulting perturbations
AU D.T.Bowron and S.Diaz Moreno
PP 3753-3762
TE Study of the triplet and pair structure of strong electrolytes
modeled via truncated Coulomb interactions
AU S.Jorge, E.Lomba, and J.L.F.Abascal
PP 3763-3771
TE Structure and speciation of liquid 2HF/KF: A molecular dynamics study
AU Christian Simon, Thierry Cartailler, and Pierre Turq
PP 3772-3779
TE The beta-delta phase transition in the energetic nitramine
octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine: Thermodynamics
AU B.F.Henson, L.Smilowitz, B.W.Asay, and P.M.Dickson
PP 3780-3788
TE The beta-delta phase transition in the energetic nitramine-octahydro-1,3,5,7-
tetranitro-1,3,5,7-tetrazocine: Kinetics
AU L.Smilowitz, B.F.Henson, B.W.Asay, and P.M.Dickson
PP 3789-3798
TE On the search for C-H-O hydrogen bonding in aqueous acetic acid:
Combined high-pressure infrared spectroscopy and ab initio calculations study
AU Hai-Chou Chang, Jyh-Chiang Jiang, Ming-Shan Lin, Hsiang-En Kao,
Chun-Min Feng, Yu-Chun Huang, and Sheng Hsien Lin
PP 3799-3803
TE Mutual diffusion coefficient of charged particles in the
solvent-fixed frame of reference from Brownian dynamics simulation
AU J.-F.Dufreche, M.Jardat, T.Olynyk, O.Bernard, and P.Turq
PP 3804-3810
TE Identification of the nu_{1}(sigma) mode of linear GeC_{3}Si
AU D.L.Robbins, C.M.L.Rittby, and W.R.M.Graham
PP 3811-3815
TE The structure of liquid fluorosulfuric acid investigated by
neutron diffraction
AU S.E.McLain, C.J.Benmore, and J.F.C.Turner
PP 3816-3821
TE Spectral analysis of electron transfer kinetics. II
AU YounJoon Jung and Jianshu Cao
PP 3822-3836
TE Experimental study of the high frequency relaxation process in
monohydroxy alcohols
AU S.S.N.Murthy and Madhusudan Tyagi
PP 3837-3847
TE The underdamped Brownian oscillator model with Ohmic
dissipation: Applicability to low-temperature optical spectra
AU Mohamad M.Toutounji and Gerald J.Small
PP 3848-3855
TE Polarizability anisotropy relaxation in liquid ethanol: A
molecular dynamics study
AU Marco Paolantoni and Branka M.Ladanyi
PP 3856-3873
TE Revealing the physicochemical mechanism for ultrasonic
separation of alcohol-water mixtures
AU D.M.Kirpalani and F.Toll
PP 3874-3877
TE Dynamics of immersed molecules in superfluids
AU Michael J.Quist and Veit Elser
PP 3878-3885
Surfaces, Interfaces, and Materials
TE Molecular dynamics studies of molecular diffusion in ice Ih
AU Tomoko Ikeda-Fukazawa, Shinichiro Horikawa, Takeo Hondoh,
and Katsuyuki Kawamura
PP 3886-3896
TE Phenomenology of squeezing and sliding of molecularly thin Xe,
CH_{4} and C_{16}H_{34} lubrication films between smooth and
rough curved solid surfaces with long-range elasticity
AU B.N.J.Persson, V.N.Samoilov, S.Zilberman, and A.Nitzan
PP 3897-3914
TE Heating in current carrying molecular junctions
AU Dvira Segal and Abraham Nitzan
PP 3915-3927
TE The p-T dependency of the ice II crystal structure and the
effect of helium inclusion
AU C.Lobban, J.L.Finney, and W.F.Kuhs
PP 3928-3934
TE Density distribution for a polymer adsorbed at an oil-water interface
AU Jun Cai and John M.Prausnitz
PP 3935-3940
TE Layering structures at free liquid surfaces: The Fisher-Widom
line and the capillary waves
AU P.Tarazona, E.Chacon, M.Reinaldo-Falagan, and E.Velasco
PP 3941-3950
TE Long-range ordering of methylidyne on Pt(1x2)
AU M.A.Petersen, D.T.P.Watson, S.J.Jenkins, and D.A.King
PP 3951-3955
TE Formation dynamics of layer-by-layer self-assembled films probed
by second harmonic generation
AU M.Breit, M.Gao, G.von Plessen, U.Lemmer, J.Feldmann, and S.T.Cundiff
PP 3956-3960
TE Site-specific fragmentation caused by core-level
photoionization: Effect of chemisorption
AU Shin-ichi Nagaoka, Kazuhiko Mase, Arinobu Nakamura,
Masashi Nagao, Jun Yoshinobu, and Shin-ichiro Tanaka
PP 3961-3971
TE Molecular simulation of thin polymer films with functional
endgroups
AU Satoru Izumisawa and Myung S.Jhon
PP 3972-3977
TE Competitive transport and percolation in disordered arrays of
molecularly-linked Au nanoparticles
AU P.-E.Trudeau, A.Orozco, E.Kwan, and A.-A.Dhirani
PP 3978-3981
TE Bulk and interfacial properties of quadrupolar fluids
AU V.B.Warshavsky and X.C.Zeng
PP 3982-3991
TE Stresses in inhomogeneous suspensions
AU Jan K.G.Dhont and W.J.Briels
PP 3992-3999
TE A novel algorithm for characterization of order in materials
AU Ritesh Shetty, Fernando A.Escobedo, Devashish Choudhary, and Paulette Clancy
PP 4000-4009
TE A density functional study of carbon monoxide adsorption on
small cationic, neutral, and anionic gold clusters
AU X.Wu, L.Senapati, S.K.Nayak, A.Selloni, and M.Hajaligol
PP 4010-4015
TE Nonlinear optical properties of oligothiophene self-assembled
monolayers on gold substrate
AU E.Mishina, Y.Miyakita, Q.-K.Yu, S.Nakabayashi, and H.Sakaguchi
PP 4016-4021
Polymers, Biopolymers, and Complex Systems
TE Studies of polymer conformation and dynamics in two dimensions
using simulations based on the Dynamic Lattice Liquid (DLL) model
AU Piotr Polanowski and Tadeusz Pakula
PP 4022-4029
TE Brownian dynamics simulation of linear polymers under
elongational flow: Bead-rod model with hydrodynamic interactions
AU Igor M.Neelov, David B.Adolf, Alexey V.Lyulin, and Geoffrey R.Davies
PP 4030-4041
TE Saturation and entropic trapping of monodisperse polymers in
porous media
AU Grant I.Nixon and Gary W.Slater
PP 4042-4046
TE Dynamics of star-burst dendrimers in solution in relation to
their structural properties
AU S.Rathgeber, M.Monkenbusch, M.Kreitschmann, V.Urban, and A.Brulet
PP 4047-4062
TE Charged polymer membrane translocation
AU T.Ambjoernsson, S.P.Apell, Z.Konkoli, E.A.Di Marzio,
and J.J.Kasianowicz
PP 4063-4073
LETTERS TO THE EDITOR
Notes
TE On the photoelectron spectrum of AgO^{-}
AU Django H.Andrews, Adam J.Gianola, and W.Carl Lineberger
PP 4074-4076
Comments
TE Comment on "The effect of the charge density of microemulsion
droplets on the bending elasticity of their amphiphilic film"
[J. Chem. Phys., v.114, 10105 (2001)]
AU V.Lisy
PP 4077-4078
TE Reply to "Comment on `The effect of the charge density of
microemulsion droplets on the bending elasticity of their
amphiphilic film'" [J. Chem. Phys. 117, 4077 (2002)]
AU B.Farago and M.Gradzielski
PP 4079-4080