The Journal of Chemical Physics, 2002, V 116, N 14, 8 April.
TE Photoelectron imaging spectroscopy of molecular and cluster
anions: CS_{2}^{-} and OCS^{-}(H_{2}O)_{1,2}
AU Eric Surber and Andrei Sanov
PP 5921-5924
ARTICLES
TE A study of the semiclassical initial value representation at short times
AU Joachim Ankerhold, Markus Saltzer, and Eli Pollak
PP 5925-5932
TE Physically motivated density functionals with improved
performances: The modified Perdew-Burke-Ernzerhof model
AU Carlo Adamo and Vincenzo Barone
PP 5933-5940
TE Intermittency, current flows, and short time diffusion in
interacting finite sized one-dimensional fluids
AU Subrata Pal, Goundla Srinivas, Sarika Bhattacharyya,
and Biman Bagchi
PP 5941-5950
TE An improved thermodynamic energy estimator for path integral
simulations
AU Kurt R.Glaesemann and Laurence E.Fried
PP 5951-5955
TE Quadratic diffusion Monte Carlo and pure estimators for atoms
AU A.Sarsa, J.Boronat, and J.Casulleras
PP 5956-5962
TE Implementation of electronic ground states and singlet and
triplet excitation energies in coupled cluster theory with
approximate triples corrections
AU Kasper Hald, Poul Jorgensen, Ove Christiansen, and Henrik Koch
PP 5963-5970
TE Efficient multiple-time-step integrators with distance-based
force splitting for particle-mesh-Ewald molecular dynamics simulations
AU Xiaoliang Qian and Tamar Schlick
PP 5971-5983
TE Modified genetic algorithm to model crystal structures. I.
Benzene, naphthalene and anthracene
AU Victor E.Bazterra, Marta B.Ferraro, and Julio C.Facelli
PP 5984-5991
TE Modified genetic algorithm to model crystal structures. II.
Determination of a polymorphic structure of benzene using
enthalpy minimization
AU Victor E.Bazterra, Marta B.Ferraro, and Julio C.Facelli
PP 5992-5995
TE Laser induced fluorescence spectra of the
D ^{1}SIGMA_{u}^{+}-->B' ^{1}SIGMA_{g}^{+} and C ^{1}Pi_{g}-->A
^{1}PI_{u} systems of C_{2} in solid Ne
AU Tomonari Wakabayashi, Aik-Loong Ong, and Wolfgang Kraetschmer
PP 5996-6001
TE The CH+H reaction studied with quantum-mechanical and classical
trajectory calculations
AU Rob van Harrevelt, Marc C.van Hemert, and George C.Schatz
PP 6002-6011
TE The permanent electric dipole moments for the A ^{2}Pi and B
^{2}Sigma^{+} states and the hyperfine interactions in the A
^{2}Pi state of lanthanum monoxide, LaO
AU T.C.Steimle and Wilton Virgo
PP 6012-6020
TE Electron attachment to SF_{5}CF_{3} (296-563 K) and calculations
of the neutral and anion thermochemistry
AU Thomas M.Miller, Susan T.Arnold, A.A.Viggiano, and W.B.Knighton
PP 6021-6027
TE Solvation of formic acid and proton transfer in hydrated clusters
AU Dongqing Wei, Jean-Francois Truchon, Suzanne Sirois, and Dennis Salahub
PP 6028-6038
TE Short- and long-lived electronic states of BF^{-}
AU A.Dreuw, T.Sommerfeld, and L.S.Cederbaum
PP 6039-6044
TE High-resolution Fourier transform infrared and cw-diode laser
cavity ringdown spectroscopy of the nu_{2}+2nu_{3} band of
methane near 7510 cm^{-1} in slit jet expansions and at room temperature
AU Michael Hippler and Martin Quack
PP 6045-6055
TE Dihydrogen bonded phenol-borane-dimethylamine complex: An
experimental and theoretical study
AU G.Naresh Patwari, Takayuki Ebata, and Naohiko Mikami
PP 6056-6063
TE Quasiclassical and quantum mechanical modeling of the breakdown
of the axial recoil approximation observed in the near threshold
photolysis of IBr and Br_{2}
AU Eckart Wrede, Eloy R.Wouters, Marco Beckert, Richard N.Dixon,
and Michael N.R.Ashfold
PP 6064-6071
TE Microwave and millimeter-wave spectrum of the He...H_{2}^{+} long-range
complex
AU David I.Gammie, Josephine C.Page, and Andrew M.Shaw
PP 6072-6078
TE Laser-induced fluorescence studies of excited Sr reactions. III.
Sr(^{3}P_{1})+CHF==CH_{2}, CF_{2}==CH_{2}, CHF==CHF, and C_{6}H_{5}F
AU J.M.Teule, M.H.M.Janssen, S.Stolte, and J.Bulthuis
PP 6079-6087
TE Theory of fluorescence decay of naphthalene: Was photoinduced
cooling observed experimentally?
AU Yong He and Eli Pollak
PP 6088-6101
TE A quantum mechanics-molecular mechanics study of dissociative
electron transfer: The methylchloride radical anion in aqueous solution
AU Alejandro Soriano, Estanislao Silla, and In~aki Tun~on
PP 6102-6110
TE Anion photoelectron spectroscopy of I_{2}^{-}(CO_{2})_{n}(n=1-8) clusters
AU Harry Gomez, Travis R.Taylor, and Daniel M.Neumark
PP 6111-6117
TE An excess electron bound to urea. III. The urea dimer as an electron trap
AU Piotr Skurski and Jack Simons
PP 6118-6125
TE Photodetachment spectroscopy of the C_{2n}H^{-} (n=2-4) anions
in the vicinity of their electron detachment threshold
AU T.Pino, M.Tulej, F.Guethe, M.Pachkov, and J.P.Maier
PP 6126-6131
TE Probing potential surfaces for hydrogen bonding: Near-infrared
combination band spectroscopy of van der Waals stretch (nu_{4})
and geared bend (nu_{5}) vibrations in (HCl)_{2}
AU Michal Farnik, Scott Davis, Michael D.Schuder, and David J.Nesbitt
PP 6132-6145
TE Beyond the Born-Oppenheimer approximation: High-resolution
overtone spectroscopy of H_{2}D^{+} and D_{2}H^{+}
AU Michal Farnik, Scott Davis, Maxim A.Kostin, Oleg L.Polyansky,
Jonathan Tennyson, and David J.Nesbitt
PP 6146-6158
TE Propagating density fluctuations in liquid mixtures: From
hydrodynamic to molecular length scales
AU N.Anento and J.A.Padro
PP 6159-6169
TE Complementary approaches to the ab initio calculation of melting
properties
AU D.Alfe, M.J.Gillan, and G.D.Price
PP 6170-6177
TE Electric field effect on positronium formation in liquids
AU Sergey V.Stepanov and Vsevolod M.Byakov
PP 6178-6195
TE Gradient vector field and properties of the experimental
electrostatic potential: Application to ibuprofen drug molecule
AU Nouzha Bouhmaida, Michael Dutheil, Nour Eddine Ghermani, and Pierre Becker
PP 6196-6204
TE Molecular dynamics of glass-forming liquids: Structure and
dynamics of liquid metatoluidine
AU Riccardo Chelli, Gianni Cardini, Piero Procacci,
Roberto Righini, and Salvatore Califano
PP 6205-6215
TE Effect of binding on particle number fluctuations in a membrane channel
AU Alexander M.Berezhkovskii, Mark A.Pustovoit, and Sergey M.Bezrukov
PP 6216-6220
TE Effect of ambient-pressure reduction on multibubble
sonochemiluminescence
AU Toru Tuziuti, Shin-ichi Hatanaka, Kyuichi Yasui,
Teruyuki Kozuka, and Hideto Mitome
PP 6221-6227
TE Nonequilibrium dynamics and fluctuation-dissipation relation in
a sheared fluid
AU Ludovic Berthier and Jean-Louis Barrat
PP 6228-6242
TE Two-color three pulse photon echo peak shift spectroscopy
AU Ritesh Agarwal, Bradley S.Prall, Abbas H.Rizvi, Mino Yang, and Graham R.Fleming
PP 6243-6252
TE Density functional theory of spin-coupled models for diiron-oxo
proteins: Effects of oxo and hydroxo bridging on geometry,
electronic structure, and magnetism
AU Jorge H.Rodriguez and James K.McCusker
PP 6253-6270
TE A self-consistent mode-coupling theory for dynamical
correlations in quantum liquids: Rigorous formulation
AU Eran Rabani and David R.Reichman
PP 6271-6278
TE A self-consistent mode-coupling theory for dynamical
correlations in quantum liquids: Application to liquid para-hydrogen
AU David R.Reichman and Eran Rabani
PP 6279-6285
TE Selective growth of flowerlike carbon structures by Radio
Frequency plasma-assisted pulsed-laser deposition
AU Yoke Khin Yap, Masashi Yoshimura, Yusuke Mori, and Takatomo Sasaki
PP 6286-6290
TE Dissociative chemisorption of methylsilane on the Si(100) surface
AU Pier Luigi Silvestrelli, Carlo Sbraccia, and Francesco Ancilotto
PP 6291-6296
TE Linear electro-optic tensor ratio determination and quadratic
electro-optic modulation of electrostatically self-assembled CdSe quantum dot
films
AU Liangmin Zhang, Fajian Zhang, Yongqiang Wang, and Richard O.Claus
PP 6297-6304
TE Phase separation of a binary fluid in the presence of immobile
particles: A lattice Boltzmann approach
AU Domenico Suppa, Olga Kuksenok, Anna C.Balazs, and J.M.Yeomans
PP 6305-6310
TE Interfaces between silicalite surfaces and liquid hexadecane: A
molecular dynamics simulation
AU Edmund B.Webb III and Gary S.Grest
PP 6311-6321
TE Soft x-ray imaging and spectroscopy of single nanocrystals
AU Joerg Rockenberger, Frithjof Nolting, Jan Luening, Jiangtao Hu,
and A.Paul Alivisatos
PP 6322-6328
TE Effective binding force calculation in a dimeric protein by
molecular dynamics simulation
AU Alessandro Sergi, Giovanni Ciccotti, Mattia Falconi,
Alessandro Desideri, and Mauro Ferrario
PP 6329-6338
TE Comparison of the ultrafast to slow time scale dynamics of three
liquid crystals in the isotropic phase
AU S.D.Gottke, Hu Cang, Biman Bagchi, and M.D.Fayer
PP 6339-6347
TE Two shear flow regimes in nematic liquid crystals: Near a
charged surface and in the bulk
AU A.V.Zakharov and Ronald Y.Dong
PP 6348-6353
TE Entropy driven demixing in fluids of rigidly ordered particles
AU Sylviane DuBois and Aurelien Perera
PP 6354-6367
TE Schroedinger equation for current carrying states
AU D.S.Kosov
PP 6368-6375
LETTERS TO THE EDITOR
TE The importance of the diabatic channels in the chemi-ionization reaction
O(^{3}P)+CH(a ^{4}Sigma^{-})-->HCO^{+}(X ^{1}Sigma^{+})+e^{-}
AU Aristophanes Metropoulos
PP 6376-6378
TE Comment on "Self-diffusion near the liquid-vapor critical point"
[J. Chem. Phys., v.114, 4912 (2001)]
AU Kenneth R.Harris
PP 6379-6380
TE Response to "Comment on `Self-diffusion near the liquid-vapor
critical point'" [J. Chem. Phys., v.116, 6379 (2002)]
AU Alexander N.Drozdov and Susan C.Tucker
PP 6381-6382