The Journal of Chemical Physics, 2001, V 115, N 7, 15 August.

TE The solid-liquid interfacial free energy of close-packed metals:
Hard-spheres and the Turnbull coefficient
AU Brian B.Laird
PP 2887-2888

TE Photodetachment of F^{-}(H_{2}O)_{n} (n=1-4): Observation of
charge-transfer states [F^{-}(H_{2}O)_{n}^{+}] and the transition state of 
F+H_{2}O hydrogen abstraction reaction
AU Xin Yang, Xue-Bin Wang, and Lai-Sheng Wang
PP 2889-2892

TE Temperature in multibubble sonoluminescence
AU Kyuichi Yasui
PP 2893-2896

TE Fluoroalcohols as nucleating agents in supersaturated vapors:
Efficient clustering with water in the vapor phase
AU V.Abedalsayed, Y.Ibrahim, M.Rusyniak, M.Rabeony, and M.S.El-Shall
PP 2897-2900

ARTICLES

TE Mulliken population analysis based evaluation of condensed Fukui
function indices using fractional molecular charge
AU Ram Kinkar Roy, Kimihiko Hirao, Sailaja Krishnamurty, and Sourav Pal
PP 2901-2907

TE Nuclear magnetic resonance of J-coupled quadrupolar nuclei: Use
of the tensor operator product basis
AU R.Kemp-Harper, D.J.Philp, and P.W.Kuchel
PP 2908-2916

TE A multireference valence bond approach to electronic excited states
AU Rocco Martinazzo, Antonino Famulari, Mario Raimondi, Enrico Bodo,
and Franco A.Gianturco
PP 2917-2925

TE The multi-coefficient correlated quantum mechanical calculations
for structures, energies, and harmonic frequencies of HF and
H_{2}O dimers
AU Chea-Yong Park, Yangsoo Kim, and Yongho Kim
PP 2926-2935

TE Multiple fragmentation dynamics after laser excitation: A simple
theoretical approach
AU O.Rubner and V.Engel
PP 2936-2944

TE Higher excitations in coupled-cluster theory
AU Mihaly Kallay and Peter R.Surjan
PP 2945-2954

TE Lekner summations
AU Martial Mazars
PP 2955-2965

TE New type of noniterative energy corrections for excited electronic states: 
Extension of the method of moments of coupled-cluster equations to the equation-
of-motion coupled-cluster formalism
AU Karol Kowalski and Piotr Piecuch
PP 2966-2978

TE Systematic convergence in the dynamical hybrid approach for
complex systems: A numerically exact methodology
AU Haobin Wang, Michael Thoss, and William H.Miller
PP 2979-2990

TE Self-consistent hybrid approach for complex systems: Application
to the spin-boson model with Debye spectral density
AU Michael Thoss, Haobin Wang, and William H.Miller
PP 2991-3005

TE Assessment of exchange-correlation functionals for the calculation of 
dynamical properties of small clusters in time-dependent density functional 
theory
AU M.A.L.Marques, Alberto Castro, and Angel Rubio
PP 3006-3014

TE Triplet excitation energies in full configuration interaction
and coupled-cluster theory
AU Helena Larsen, Kasper Hald, Jeppe Olsen, and Poul Jorgensen
PP 3015-3020

TE RAIL: Reaction-path and variational rate constants using the
integrated molecular orbital with harmonic cap method
AU J.Espinosa-Garcia and Jose C.Corchado
PP 3021-3030

TE New implementation of the trajectory surface hopping method with
use of the Zhu-Nakamura theory
AU Chaoyuan Zhu, Katsuyuki Nobusada, and Hiroki Nakamura
PP 3031-3044

TE Low energy electron scattering in CF_{2}Cl_{2} and CF_{3}Cl
AU D.Field, N.C.Jones, S.L.Lunt, J.-P.Ziesel, and R.J.Gulley
PP 3045-3052

TE Infrared spectrum of the OCS-He complex
AU Jian Tang and A.R.W.McKellar
PP 3053-3056

TE The conformational structures and dipole moments of ethyl
sulfide in the gas phase
AU D.F.Plusquellic, R.D.Suenram, B.Mate, J.O.Jensen, and A.C.Samuels
PP 3057-3067

TE Delayed ionization of C_{60}: The competition between ionization
and fragmentation revisited
AU F.Rohmund, M.Heden, A.V.Bulgakov, and E.E.B.Campbell
PP 3068-3073

TE Spectroscopic, collisional, and thermodynamic properties of the
He-CO_{2} complex from an ab initio potential: Theoretical predictions and 
confrontation with the experimental data
AU Tatiana Korona, Robert Moszynski, Franck Thibault, Jean-Michel Launay, 
Beatrice Bussery-Honvault, Joeel Boissoles, and Paul E.S.Wormer
PP 3074-3084

TE Ab initio calculations of adiabatic and diabatic potential energy surfaces of 
Cl(^{2}P)...HCl(^{1}Sigma^{+}) van der Waals complex
AU Jacek A.Klos, Grzegorz Chalasinski, M.M.Szcz[hooked ee]sniak,
and Hans-Joachim Werner
PP 3085-3098

TE Collisional quenching of high rotational levels in A ^{2}Sigma^{+} OH
AU Brooke L.Hemming, David R.Crosley, Joel E.Harrington, and Volker Sick
PP 3099-3104

TE Adapting optimal control theory and using learning loops to
provide experimentally feasible shaping mask patterns
AU Thomas Hornung, Marcus Motzkus, and Regina de Vivie-Riedle
PP 3105-3111

TE Charge-transfer mediated photochemistry in alkene-O_{2} complexes
AU Gary DeBoer, Amy Preszler Prince, and Mark A.Young
PP 3112-3120

TE Geometries and spectroscopic properties of germanium and tin
hexamers (Ge_{6}, Ge_{6}^{+}, Ge_{6}^{-}, Sn_{6}, Sn_{6}^{+}, and Sn_{6}^{-})
AU Cunyuan Zhao and K.Balasubramanian
PP 3121-3133

TE The 3nu_{1} overtone band of trans-nitrous acid: Rotational and
perturbation analysis and absolute intensity
AU Scott K.Witonsky, Manjula R.Canagaratna, Stephen L.Coy,
Jeffrey I.Steinfeld, Robert W.Field, and Alexandre A.Kachanov
PP 3134-3143

TE Quenching rate constants for reactions of Ar(4p'[1/2]_{0},
4p[1/2]_{0}, 4p[3/2]_{2}, and 4p[5/2]_{2}) atoms with 22 reagent gases
AU N.Sadeghi, D.W.Setser, A.Francis, U.Czarnetzki, and H.F.Doebele
PP 3144-3154

TE Near-infrared absorption spectrum of the Ar-HD complex: A
theoretical study of predissociation effects
AU Felicja Mrugala
PP 3155-3172

TE Renner-Teller induced predissociation of HNO(A~ ^{1}A"):
Rotational-state dependent linewidths of quasibound states
AU Jan Weis and Reinhard Schinke
PP 3173-3183

TE An ab initio and experimental study of vibrational effects in
low energy O^{+}+C_{2}H_{2} charge-transfer collisions
AU Kaori Fukuzawa, Toshio Matsushita, Keiji Morokuma, Dale J.Levandier,
Yu-hui Chiu, Rainer A.Dressler, Edmond Murad,
Anthony Midey, Skip Williams, and Albert A.Viggiano
PP 3184-3194

TE Photodissociation of 1,2-C_{2}H_{2}Br_{2} at 248 nm: Competition
between three-body formation Br+Br+C_{2}H_{2} and molecular Br_{2} elimination
AU Y.R.Lee, C.C.Chou, Y.J.Lee, L.D.Wang, and S.M.Lin
PP 3195-3200

TE Accurate ab initio study on the spectroscopy of Ag and Ag^{+}
including spin-orbit couplings aimed at molecular calculations
AU A.Ramirez-Solis, V.Vallet, Ch.Teichteil, T.Leininger, and J.P.Daudey
PP 3201-3207

TE Wave packet dynamics of the N(^{4}S)+O_{2}(X ^{3}Sigma_{g}^{-})-->NO(X 
^{2}Pi)+O(^{3}P) reaction on the X ^{2}A' potential energy surface
AU Paolo Defazio, Carlo Petrongolo, Stephen K.Gray, and Carolina Oliva
PP 3208-3214

TE Evidence for C-H-O interaction of acetone and deuterium oxide
probed by high-pressure
AU Hai-Chou Chang, Jyh-Chiang Jiang, Sheng H.Lin, Nai-Hsin Weng,
and Ming-Chi Chao
PP 3215-3218

TE Green's function calculation of electron spin polarization. IV.
Radical pairs in micelles
AU A.A.Neufeld, A.B.Doktorov, and J.Boiden Pedersen
PP 3219-3229

TE Green's function calculation of electron spin polarization. V.
Quasi-equilibrium and fast mixing approximations for micellar radical pairs
AU A.A.Neufeld, A.B.Doktorov, and J.Boiden Pedersen
PP 3230-3240

TE The vibrational spectrum of crystalline benzoic acid: Inelastic
neutron scattering and density functional theory calculations
AU M.Plazanet, N.Fukushima, M.R.Johnson, A.J.Horsewill, and H.P.Trommsdorff
PP 3241-3248

TE Long-range energy transfer of singlet and triplet excitations in
dye-doped tris
AU S.Blumstengel, F.Meinardi, R.Tubino, M.Gurioli, M.Jandke, and P.Strohriegl
PP 3249-3255

TE Cooling dynamics of an optically excited molecular probe in
solution from femtosecond broadband transient absorption spectroscopy
AU S.A.Kovalenko, R.Schanz, H.Hennig, and N.P.Ernsting
PP 3256-3273

TE The dielectric relaxation time of ice V, its partial
anti-ferroelectric ordering and the role of Bjerrum defects
AU G.P.Johari and E.Whalley
PP 3274-3280

TE Quasielastic neutron scattering from trehalose aqueous solutions
AU A.Faraone, S.Magaza, R.E.Lechner, S.Longeville, G.Maisano,
D.Majolino, P.Migliardo, and U.Wanderlingh
PP 3281-3286

TE Cycloaddition chemistry of thiophene on the silicon (111)-7x7 surface
AU Y.Cao, K.S.Yong, Z.H.Wang, J.F.Deng, Y.H.Lai, and G.Q.Xu
PP 3287-3296

TE Formation and stability of free charged lanthanum hexaboride
clusters at field evaporation
AU I.Boustani, R.Buenker, V.N.Shrednik, M.V.Loginov, M.M.Korsukova,
and V.N.Gurin
PP 3297-3307

TE Vibrational modes of graphitic fragments and the nucleation of
carbon nanotubes
AU Manuela Volpe and Fabrizio Cleri
PP 3308-3314

TE Molecular beam and infrared spectroscopic studies of the
thermodynamics of CO on clean and vinylidene-covered Pd(111)
AU D.Stacchiola, G.Wu, M.Kaltchev, and W.T.Tysoe
PP 3315-3321

TE Adsorption isotherms of water in Li-, Na-, and K-montmorillonite
by molecular simulation
AU E.J.M.Hensen, T.J.Tambach, A.Bliek, and B.Smit
PP 3322-3329

TE Corrugation induced rotational excitation in photon/electron-induced 
desorption of ammonia: A three-dimensional quantum study
AU Shenmin Li and Hua Guo
PP 3330-3335

TE Radiation-induced densification in amorphous silica: A computer
simulation study
AU Adam Wootton, Bronwyn Thomas, and Peter Harrowell
PP 3336-3341

TE The relation between dynamics of wetting and nonwetting liquids
AU P.Neogi
PP 3342-3345

TE Oxygen interaction with disordered and nanostructured Ag(001) surfaces
AU L.Vattuone, U.Burghaus, L.Savio, M.Rocca, G.Costantini,
F.Buatier de Mongeot, C.Boragno, S.Rusponi, and U.Valbusa
PP 3346-3355

TE Laser assisted associative desorption of N_{2} and CO from Ru(0001)
AU L.Diekhoener, H.Mortensen, A.Baurichter, and A.C.Luntz
PP 3356-3373

TE Evolutionary Monte Carlo for protein folding simulations
AU Faming Liang and Wing Hung Wong
PP 3374-3380

TE Three-phase fractionation of polydisperse fluids
AU L.Bellier-Castella, M.Baus, and H.Xu
PP 3381-3386

TE Microphase segregation in molten randomly grafted copolymers
AU Shuyan Qi, Arup K.Chakraborty, and Nitash P.Balsara
PP 3387-3400

TE The phase diagram of molten randomly grafted copolymers
AU Shuyan Qi and Arup K.Chakraborty
PP 3401-3405

TE Polyelectrolyte-macroion complexation. I. Effect of linear
charge density, chain length, and macroion charge
AU Marie Jonsson and Per Linse
PP 3406-3418

TE The role of dimer formation in the self-assemblies of DNA base
molecules on Cu(111) surfaces: A scanning tunneling microscope study
AU Masashi Furukawa, Hiroyuki Tanaka, and Tomoji Kawai
PP 3419-3423

TE Statistical mechanics of solvophobic aggregation: Additive and
cooperative effects
AU Seishi Shimizu and Hue Sun Chan
PP 3424-3431