The Journal of Chemical Physics, 2002, V 116, N 13, 1 April.
TE Influence of a knot on the stretching-induced crystallization of a polymer
AU A.Marco Saitta and Michael L.Klein
PP 5333-5336
TE Isotropic collision induced light scattering spectra from gaseous SF_{6}
AU J.-L.Godet, F.Rachet, Y.Le Duff, K.Nowicka, and T.Bancewicz
PP 5337-5340
TE Differential cross sections for O(^{3}P)+alkane reactions by direct imaging
AU Xianghong Liu, Richard L.Gross, and Arthur G.Suits
PP 5341-5344
ARTICLES
TE Robust wave function optimization procedures in quantum Monte Carlo methods
AU Dario Bressanini, Gabriele Morosi, and Massimo Mella
PP 5345-5350
TE A new reciprocal space based treatment of long range
interactions on surfaces
AU Peter Minary, Mark E.Tuckerman, Katianna A.Pihakari, and Glenn J.Martyna
PP 5351-5362
TE Initial convergence of the perturbation series expansion for
vibrational nonlinear optical properties
AU Miquel Torrent-Sucarrat, Miquel Sola, Miquel Duran,
Josep M.Luis, and Bernard Kirtman
PP 5363-5373
TE The asymptotic region of the Kohn-Sham exchange potential in molecules
AU Fabio Della Sala and Andreas Goerling
PP 5374-5388
TE Basis set limit binding energies of dimers derived from basis
set convergence of monomer energies
AU Sun Yong Park and Jae Shin Lee
PP 5389-5394
TE The dependence of nonadiabatic couplings on the origin of
electron coordinates
AU Andrey K.Belyaev, Alexander Dalgarno, and Ronald McCarroll
PP 5395-5400
TE First-order properties for triplet excited states in the approximated
coupled cluster model CC2 using an explicitly spin coupled basis
AU Christof Haettig, Andreas Koehn, and Kasper Hald
PP 5401-5410
TE A dynamical correlation functional
AU Nicholas C.Handy and Aron J.Cohen
PP 5411-5418
TE Multicanonical parallel tempering
AU Roland Faller, Qiliang Yan, and Juan J.de Pablo
PP 5419-5423
TE Fewest-switches with time uncertainty: A modified trajectory
surface-hopping algorithm with better accuracy for classically
forbidden electronic transitions
AU Ahren W.Jasper, Samuel N.Stechmann, and Donald G.Truhlar
PP 5424-5431
TE Density matrix variational theory: Application to the potential
energy surfaces and strongly correlated systems
AU Maho Nakata, Masahiro Ehara, and Hiroshi Nakatsuji
PP 5432-5439
TE The energy as a functional of the charge density and the
charge-density susceptibility: A simple, exact, nonlocal
expression for the electronic energy of a molecule
AU Katharine L.C.Hunt
PP 5440-5447
TE Extending the polarizable continuum model to effective ab initio
pair potentials in multicomponent solutions: A test on
calcium-water and calcium-ammonia potentials
AU F.M.Floris, Jose M.Martinez, and J.Tomasi
PP 5448-5459
TE Preferential solvation of Ca^{2+} in aqueous solutions
containing ammonia: A molecular dynamics study
AU F.M.Floris, Jose M.Martinez, and J.Tomasi
PP 5460-5470
TE Dissociative electron attachment to molecules in the gas phase
and in rare gas solids
AU P.D.Burrow and K.Aflatooni
PP 5471-5475
TE Ab initio all-electron fully relativistic Dirac-Fock self-consistent field
calculations for molecules of superheavy elements: Seaborgium hexabromide
AU Gulzari L.Malli
PP 5476-5480
TE An ab initio study of the ionization potentials and f-f
spectroscopy of europium atoms and ions
AU Conrad Naleway, Michael Seth, Ron Shepard, Albert F.Wagner,
Jeffrey L.Tilson, Walter C.Ermler, and Scott R.Brozell
PP 5481-5493
TE An ab initio study of the f-f spectroscopy of americium+3
AU Jeffrey L.Tilson, Conrad Naleway, Michael Seth, Ron Shepard,
Albert F.Wagner, and Walter C.Ermler
PP 5494-5502
TE New magnetic dipole transition of the oxygen molecule:
B' ^{3}Pi_{g}<--X ^{3}Sigma_{g}^{-}(0,0)
AU E.H.Roberts, K.L.Nixon, C.J.Dedman, S.T.Gibson, and B.R.Lewis
PP 5503-5508
TE Structures, spectra, and electronic properties of halide-water
pentamers and hexamers, X^{-}(H_{2}O)_{5,6} (X=F,Cl,Br,I):Ab initio study
AU Han Myoung Lee, Dongwook Kim, and Kwang S.Kim
PP 5509-5520
TE Vibrational spectroscopy and matrix-site geometries of HArF,
HKrF, HXeCl, and HXeI in rare-gas solids
AU Z.Bihary, G.M.Chaban, and R.B.Gerber
PP 5521-5529
TE Collision-induced dissociation of formaldehyde cations: The
effects of vibrational mode, collision energy, and impact parameter
AU Jianbo Liu, Brian Van Devener, and Scott L.Anderson
PP 5530-5543
TE The pure rotational spectrum of NaC in its X ^{4}Sigma^{-}
state: Observation and interpretation
AU P.M.Sheridan, J.Xin, L.M.Ziurys, Sara A.Beaton,
Stephen M.Kermode, and John M.Brown
PP 5544-5550
TE Electronic quenching of O(^{1}D) by collisions with O_{2}:
A theoretical study in a collinear case
AU Nobuaki Miura, Kenro Hashimoto, Kenshi Takahashi,
Nori Taniguchi, and Yutaka Matsumi
PP 5551-5556
TE Non-Born-Oppenheimer calculations of the polarizability of LiH
in a basis of explicitly correlated Gaussian functions
AU Mauricio Cafiero and Ludwik Adamowicz
PP 5557-5564
TE Reactions of Pt^{+} with H_{2}, D_{2}, and HD: Effect of
lanthanide contraction on reactivity and thermochemistry
AU Xiao-Guang Zhang and P.B.Armentrout
PP 5565-5573
TE Reactions of Ta^{+} and W^{+} with H_{2}, D_{2}, and HD: Effect
of lanthanide contraction and spin-orbit interactions on
reactivity and thermochemistry
AU Xiao-Guang Zhang, Chad Rue, Sae-Young Shin, and P.B.Armentrout
PP 5574-5583
TE Coherent control of the CH_{2}Br+I<--CH_{2}BrI-->CH_{2}I+Br
branching photodissociation reaction
AU Dmitri G.Abrashkevich, Moshe Shapiro, and Paul Brumer
PP 5584-5592
TE Modeling kinetic shifts in threshold collision-induced
dissociation. Case study: Dichlorobenzene cation dissociation
AU Felician Muntean, Lars Heumann, and P.B.Armentrout
PP 5593-5602
TE Dynamics of the C+C_{2}H_{2} reaction from differential and
integral cross-section measurements in crossed-beam experiments
AU L.Cartechini, A.Bergeat, G.Capozza, P.Casavecchia, G.G.Volpi,
W.D.Geppert, C.Naulin, and M.Costes
PP 5603-5611
TE Vacuum ultraviolet pulsed field ionization-photoelectron study
of OCS in the energy range of 15-19 eV
AU Wenwu Chen, M.Hochlaf, P.Rosmus, G.Z.He, and C.Y.Ng
PP 5612-5621
TE Reactive scattering of F+HD-->HF(v,J)+D: HF(v,J) nascent product
state distributions and evidence for quantum transition state resonances
AU Warren W.Harper, Sergey A.Nizkorodov, and David J.Nesbitt
PP 5622-5632
TE Ab initio study of the reaction mechanism of CO_{2} with Ti atom
in the ground and excited electronic states
AU Der-Yan Hwang and Alexander M.Mebel
PP 5633-5642
TE Matrix isolation FTIR spectroscopic and density functional
theoretical studies of the O_{2}SiCO and O_{2}Si(CO)_{2}molecules
AU Lei Miao, Limin Shao, Wenning Wang, Kangnian Fan, and Mingfei Zhou
PP 5643-5648
TE On photochemistry of water in solid Xe: Thermal and light-induced
decomposition of HXeOH and HXeH and formation of H_{2}O_{2}
AU Leonid Khriachtchev, Hanna Tanskanen, Mika Pettersson,
Markku Raesaenen, Jussi Ahokas, Henrik Kunttu, and Vladimir Feldman
PP 5649-5656
TE Parametric crossover model and physical limit of stability in
supercooled water
AU S.B.Kiselev and J.F.Ely
PP 5657-5665
TE Convective and periodic motion driven by a chemical wave
AU Hiroyuki Kitahata, Ryoichi Aihara, Nobuyuki Magome, and Kenichi Yoshikawa
PP 5666-5672
TE Calorimetric and neutron scattering studies on the boson peak of
lithium chloride aqueous solution glasses
AU Yasushi Madokoro, Osamu Yamamuro, Hirotaka Yamasaki,
Takasuke Matsuo, Itaru Tsukushi, Takashi Kamiyama, and Susumu Ikeda
PP 5673-5679
TE Vibrational energy relaxation in classical fluids. I.
High-frequency spectra in gases
AU Dirk Schwarzer and Max Teubner
PP 5680-5693
TE Structure and dynamics of the keto and enol forms of
acetylacetone in the solid state
AU M.R.Johnson, N.H.Jones, A.Geis, A.J.Horsewill, and H.P.Trommsdorff
PP 5694-5700
TE Submillimeter spectroscopic study of concentrated electrolyte
solutions as high density plasma
AU Taro Dodo, Masao Sugawa, Eiji Nonaka, and Shun-ichi Ikawa
PP 5701-5707
TE Isotopic effect on thermal mobility of atomic hydrogen in solid xenon
AU Leonid Khriachtchev, Hanna Tanskanen, Mika Pettersson,
Markku Raesaenen, Vladimir Feldman, Fedor Sukhov, Aleksei Orlov,
and Alexander F.Shestakov
PP 5708-5716
TE Infrared spectroscopy of ethanol clusters in ethanol-hexane
binary solutions
AU Keith M.Murdoch, Thomas D.Ferris, John C.Wright, and Thomas C.Farrar
PP 5717-5724
TE D_{1}(^{2}B_{2g})-->D_{0}(^{2}A_{u}) fluorescence from the
matrix-isolated perylene cation following laser excitation into
the D_{5}(^{2}B_{3g}) and D_{2}(^{2}B_{3g}) electronic states
AU Xavier D.F.Chillier, Bradley M.Stone, Christine Joblin,
Farid Salama, and Louis J.Allamandola
PP 5725-5730
TE Ammonia cluster anions and their relationship to ammoniated
(solvated) electrons: The photoelectron spectra of (NH_{3})_{n=41-1100}^{-}
AU H.W.Sarkas, S.T.Arnold, J.G.Eaton, G.H.Lee, and K.H.Bowen
PP 5731-5737
TE Solvation effects on electronic excited states of methanol: A
study of neat and mixed methanol/water clusters
AU E.S.Wisniewski, M.A.Hershberger, and A.W.Castleman, Jr.
PP 5738-5745
TE Formation of the cyclic ice hexamer via excitation of
vibrational molecular modes by the scanning tunneling microscope
AU Karina Morgenstern and Karl-Heinz Rieder
PP 5746-5752
TE Hydrogen bond-induced nanosegregation in the thermotropic cubic
phase forming molecule, BABH8
AU Makoto Yoneya, Etsushi Nishikawa, and Hiroshi Yokoyama
PP 5753-5758
TE Reaction fronts in the oxidation of hydrogen on Pt(111):
Scanning tunneling microscopy experiments and reaction-diffusion modeling
AU C.Sachs, M.Hildebrand, S.Voelkening, J.Wintterlin, and G.Ertl
PP 5759-5773
TE Atomistic mechanism of the initial oxidation of the clean
Si(100)-(2x1) surface by O_{2} and SiO_{2} decomposition
AU Yuniarto Widjaja and Charles B.Musgrave
PP 5774-5780
TE CH_{4} dissociation on Ru(0001): A view from both sides of the barrier
AU H.Mortensen, L.Diekhoener, A.Baurichter, and A.C.Luntz
PP 5781-5794
TE Density functional theory and Monte Carlo simulations for hard
sphere fluids in square and rectangular channels
AU Kamakshi Jagannathan and Arun Yethiraj
PP 5795-5800
TE The glass transition of thin film polymer/polymer blends:
Interfacial interactions and confinement
AU Joseph Q.Pham and Peter F.Green
PP 5801-5806
TE Polarization induced by external noise in irreversible electrode
processes: A stochastic measure of thermodynamic effects driven
by external noise in electro-chemical reaction systems
AU Nanrong Zhao and Jiuli Luo
PP 5807-5815
TE Monte Carlo simulation of a complex fluid confined to a pore
with nanoscopically rough walls
AU Fabien Porcheron, Martin Schoen, and Alain H.Fuchs
PP 5816-5824
TE Test of the scaled particle theory for aligned hard
spherocylinders using Monte Carlo simulation
AU Tomonori Koda and Susumu Ikeda
PP 5825-5830
TE Diffusion equation on curved surfaces. I. Theory and application
to biological membranes
AU Jordi Faraudo
PP 5831-5841
TE Dissipative particle dynamics study of spontaneous vesicle
formation of amphiphilic molecules
AU Satoru Yamamoto, Yutaka Maruyama, and Shi-aki Hyodo
PP 5842-5849
TE Comparison of ensemble and single molecule approaches to probing
polymer relaxation dynamics near T_{g}
AU Laura A.Deschenes and David A.Vanden Bout
PP 5850-5856
TE Low-shear viscosity of nondilute polymer solutions from a
generalized Kirkwood-Riseman model
AU George D.J.Phillies
PP 5857-5866
TE The role of sound propagation in concentrated colloidal suspensions
AU A.F.Bakker and C.P.Lowe
PP 5867-5876
TE Absorption and emission in oligo-phenylene vinylene
nanoaggregates: The role of disorder and structural defects
AU Frank C.Spano
PP 5877-5891
TE Statistical thermodynamics of polydisperse polymer systems in
the framework of lattice fluid model: Effect of molecular weight
and its distribution on the spinodal in polymer solution
AU Jian Yang, Zhaoyan Sun, Wei Jiang, and Lijia An
PP 5892-5900
TE Correlations between morphology, phase behavior and pair
interaction in soft sphere solids
AU Jianing Liu, Hans Joachim Schoepe, and Thomas Palberg
PP 5901-5907
LETTERS TO THE EDITOR
TE Localized relaxation's strength and its mimicry of
glass-softening thermodynamics
AU G.P.Johari, G.Power, and J.K.Vij
PP 5908-5909
TE Integral equations for polymers in quenched random media
AU Arun Yethiraj
PP 5910-5911
TE Erratum: "Electronic states of the phenoxyl radical"
[J. Chem. Phys., v.115, 9733 (2001)]
AU J.George Radziszewski, Michal Gil, Alexandr Gorski,
Jens Spanget-Larsen, Jacek Waluk, and Boguslaw J.Mroz
PP 5912
TE Erratum: "On the theory of the strange and unconventional
isotopic effects in ozone formation"
[J. Chem. Phys., v.116, 137 (2002)]
AU Yi Qin Gao and R.A.Marcus
PP 5913
TE Erratum: "Equations of state for fluids: The Dieterici approach
revisited" [J. Chem. Phys., v.115, 1460 (2001)]
AU Richard J.Sadus
PP 5913