The Journal of Chemical Physics, 2002, V 116, N 10, March 8.
TE A new analytic form of ab initio potential energy function: An
application to H_{2}O
AU Kiyoshi Yagi, Tetsuya Taketsugu, and Kimihiko Hirao
PP 3963-3966
TE Integration schemes for dissipative particle dynamics
simulations: From softly interacting systems towards hybridmodels
AU I.Vattulainen, M.Karttunen, G.Besold, and J.M.Polson
PP 3967-3979
TE Functionals of quantities other than the electron density:
Approximations to the exchange energy
AU Matthias Ernzerhof, Sergey N.Maximoff, and Gustavo E.Scuseria
PP 3980-3984
TE Analysis of the magnetic coupling in binuclear complexes. II.
Derivation of valence effective Hamiltonians from ab initio CI
and DFT calculations
AU Carmen J.Calzado, Jesus Cabrero, Jean Paul Malrieu, and Rosa Caballol
PP 3985-4000
TE Polarizability of molecular clusters as calculated by a dipole
interaction model
AU Lasse Jensen, Per-Olof Astrand, Anders Osted, Jacob Kongsted,
and Kurt V.Mikkelsen
PP 4001-4010
TE Photoelectron spectroscopy via the 1 ^{1}Delta_{u} state of diacetylene
AU C.Ramos, P.R.Winter, T.S.Zwier, and S.T.Pratt
PP 4011-4022
TE Single to triple ionization of propane due to electron impact:
Cross sections for the different dissociation channels
AU Pengqian Wang and C.R.Vidal
PP 4023-4029
TE Rotational level dependence of ground state recovery rates for
OH X ^{2}Pi(v"=0) in atmospheric pressure flames using the picosecond
saturating-pump degenerate four-wave mixing probetechnique
AU J.Tobai, T.Dreier, and J.W.Daily
PP 4030-4038
TE Structure and energetics of He_{2}^{*} bubble-states in superfluid ^{4}He
AU J.Eloranta, N.Schwentner, and V.A.Apkarian
PP 4039-4053
TE Mean excitation energy, static polarizability, and
hyperpolarizability of the spherically confined hydrogen atom
AU Arup Banerjee, K.D.Sen, Jorge Garza, and Rubicelia Vargas
PP 4054-4057
TE Controlling nucleation and growth of nanodroplets in supersonic nozzles
AU Kiril A.Streletzky, Yury Zvinevich, Barbara E.Wyslouzil, and Reinhard Strey
PP 4058-4070
TE Electronic spectroscopy of intermediates involved in the
conversion of methane to methanol by FeO^{+}
AU Fernando Aguirre, John Husband, Christopher J.Thompson,
Kay L.Stringer, and Ricardo B.Metz
PP 4071-4078
TE Vibrational motions and nuclear spin relaxation in paramagnetic
complexes: Hexaaquonickel(II) as an example
AU Danuta Kruk and Jozef Kowalewski
PP 4079-4086
TE A theoretical determination of the methyl and aldehydic torsion far-infrared
spectrum of propanal-d_{0} with the vibrational zero point correction
AU Y.G.Smeyers and M.Villa
PP 4087-4093
TE Structures of small gold cluster cations (Au_{n}^{+}, n<14): Ion
mobility measurements versus density functional calculations
AU Stefan Gilb, Patrick Weis, Filip Furche, Reinhart Ahlrichs,
and Manfred M.Kappes
PP 4094-4101
TE The frequency detuning correction and the asymmetry of line
shapes: The far wings of H_{2}O-H_{2}O
AU Q.Ma and R.H.Tipping
PP 4102-4115
TE The hydrogen-bonded heterodimer between methylene cyclobutane
and hydrogen chloride: Observation of an endo conformer
AU Alberto Lesarri, Susana Blanco, Juan C.Lopez, and Jose L.Alonso
PP 4116-4123
TE A globally smooth ab initio potential surface of the 1 A' state
for the reaction S(^{1}D)+H_{2}
AU Tak-San Ho, Timothy Hollebeek, Herschel Rabitz, Sheng Der Chao,
Rex T.Skodje, Alexander S.Zyubin, and Alexander M.Mebel
PP 4124-4134
TE Exploring the Bermuda triangle of homonuclear diatomic
spectroscopy: The electronic spectrum and structure of Ge_{2}
AU David A.Hostutler, Haiyang Li, Dennis J.Clouthier, and Ghassan Wannous
PP 4135-4141
TE A hierarchical family of global analytic Born-Oppenheimer
potential energy surfaces for the H+H_{2} reaction ranging in
quality from double-zeta to the complete basis set limit
AU Steven L.Mielke, Bruce C.Garrett, and Kirk A.Peterson
PP 4142-4161
TE Two-photon resonant ionization spectroscopy of the allyl-h_{5}
and allyl-d_{5} radicals: Rydberg states and ionization energies
AU Chi-Wei Liang, Chun-Cing Chen, Chia-Yin Wei, and Yit-Tsong Chen
PP 4162-4169
TE Zero electron kinetic energy spectroscopy of the XeCl^{-} anion
AU Thomas Lenzer, Ivan Yourshaw, Michael R.Furlanetto,
Nicholas L.Pivonka, and Daniel M.Neumark
PP 4170-4175
TE The ultraviolet photodissociation of jet-cooled ClO and BrO radicals
AU Peng Zou, Hahkjoon Kim, and Simon W.North
PP 4176-4183
TE Converged five-dimensional quantum calculations for OH+CO-->H+CO_{2}
AU Drew A.McCormack and Geert-Jan Kroes
PP 4184-4191
TE Effects of ions on the dielectric permittivity and relaxation
rate and the decoupling of ionic diffusion from dielectric
relaxation in supercooled liquid and glassy 1-propanol
AU G.Power, G.P.Johari, and J.K.Vij
PP 4192-4201
TE Impurity effects on the two-phase isochoric heat capacity of
fluids near the critical point
AU A.Kostrowicka Wyczalkowska, M.A.Anisimov, J.V.Sengers, and Y.C.Kim
PP 4202-4211
TE Theory of dielectric constant of aqueous solutions
AU S.J.Suresh and V.M.Naik
PP 4212-4220
TE An improved model for ternary nucleation of sulfuric acid-ammonia-water
AU I.Napari, M.Noppel, H.Vehkamaeki, and M.Kulmala
PP 4221-4227
TE Stability limits for a liquid of Einstein glasses
AU Robin J.Speedy
PP 4228-4231
TE Thermodynamics of a soft disk glass: The role of configurational
constraints
AU F.G.Padilla and Peter Harrowell
PP 4232-4239
TE Multitime correlation functions for single molecule kinetics
with fluctuating bottlenecks
AU Valeri Barsegov, Vladimir Chernyak, and Shaul Mukamel
PP 4240-4251
TE Thermal effects in dynamics of interfaces
AU A.Umantsev
PP 4252-4265
TE Continuous wave electron paramagnetic resonance investigation of
the hyperfine structure of ^{17}O_{2}^{-} adsorbed on the MgO surface
AU Mario Chiesa, Elio Giamello, M.Cristina Paganini,
Zbigniew Sojka, and Damien M.Murphy
PP 4266-4274
TE Dynamical benchmarks of the nucleation kinetics of water
AU G.K.Schenter, S.M.Kathmann, and B.C.Garrett
PP 4275-4280
TE The possibility of single C-H bond activation in CH_{4} on a
MoO_{3}-supported Pt catalyst: A density functional theory study
AU C.J.Zhang and P.Hu
PP 4281-4285
TE Theory of adsorption in a polydisperse templated porous
material: Hard sphere systems
AU Wojciech Rzysko, Stefan Sokolowski, and Orest Pizio
PP 4286-4292
TE H_{2}O adsorption on BaF_{2}(111) at ambient temperatures
AU Vlad Sadtchenko, Peter Conrad, and George E.Ewing
PP 4293-4301
TE On the efficiency of energy transfer in collisional activation
of small peptides
AU Julia Laskin and Jean H.Futrell
PP 4302-4310
TE Local reactivity index defined through the density of states
describes the basicity of alkaline-exchanged zeolites
AU Juan C.Santos, Renato Contreras, Eduardo Chamorro, and Patricio Fuentealba
PP 4311-4316
TE Simulating vapor-liquid nucleation of n-alkanes
AU Bin Chen, J.Ilja Siepmann, Kwang J.Oh, and Michael L.Klein
PP 4317-4329
TE Conformational properties of randomly flexible heteropolymers
AU Pallavi Debnath and Binny J.Cherayil
PP 4330-4338
TE Effects of structural memory in protein reactions
AU Yu.M.Barabash, N.M.Berezetskaya, L.N.Christophorov,
A.O.Goushcha, and V.N.Kharkyanen
PP 4339-4352
TE Mechanisms of cooperativity underlying sequence-independent
beta-sheet formation
AU Chinlin Guo, Margaret S.Cheung, Herbert Levine, and David A.Kessler
PP 4353-4365
TE Diffusion influenced end-to-end reaction of a flexible polymer
chain: The memory effect
AU Tusar Bandyopadhyay and Swapan K.Ghosh
PP 4366-4369