Journal of Chemical Physics, 2001, V 114, N 10, 8 March.

TE Electron localization function studies of the nature of binding
in neutral rare-gas containing hydrides: HKrCN, HKrNC, HXeCN, HXeNC, HXeOH, and 
HXeSH
AU Slawomir Berski, Zdzislaw Latajka, Bernard Silvi, and Jan Lundell
PP 4349-4358

TE On the validity of the extended Koopmans' theorem
AU Katarzyna Pernal and Jerzy Cioslowski
PP 4359-4361

TE Uniform semiclassical IVR treatment of the S-matrix
AU Y.Elran and K.G.Kay
PP 4362-4376

TE A dielectric continuum molecular dynamics method
AU Massimo Marchi, Daniel Borgis, Nicolas Levy, and Pietro Ballone
PP 4377-4385

TE Local and nonlocal approximation for a simple quantum system
AU M.A.Palenberg, R.J.Silbey, C.Warns, and P.Reineker
PP 4386-4389

TE Short range interaction potentials between anions in crystals
AU N.C.Pyper
PP 4390-4405

TE A physically transparent and transferable compressible ion model
for oxides
AU N.A.Marks, M.W.Finnis, J.H.Harding, and N.C.Pyper
PP 4406-4414

TE Toward quantum information processing by nuclear magnetic
resonance: Pseudopure states and logical operations using
selective pulses on an oriented spin 3/2 nucleus
AU Neeraj Sinha, T.S.Mahesh, K.V.Ramanathan, and Anil Kumar
PP 4415-4420

TE An evaluation of the density functional approach in the zero
order regular approximation for relativistic effects: Magnetic
interactions in small metal compounds
AU Paola Belanzoni, Erik van Lenthe, and Evert Jan Baerends
PP 4421-4433

TE Excited state potential energy surfaces from the inversion of
absorption spectra: Removal of a global singularity
AU Wusheng Zhu and Herschel Rabitz
PP 4434-4440

TE Nuclear Fukui function and Berlin's binding function: Prediction
of the Jahn-Teller distortion
AU Robert Balawender, Frank De Proft, and Paul Geerlings
PP 4441-4449

TE The photodissociation of CH_{3}SCH_{3} and CD_{3}SCD_{3} at
220-231 nm investigated by velocity map ion imaging
AU B.Martinez-Haya, P.Quintana, L.Ban~ares, P.Samartzis, D.J.Smith,
and T.N.Kitsopoulos
PP 4450-4456

TE Fourier transform infrared emission spectroscopy of VCl
AU R.S.Ram, P.F.Bernath, and S.P.Davis
PP 4457-4460

TE Structures and spectra of iodide-water clusters
I^{-}(H_{2}O)_{n=1-6}: An ab initio study
AU Han Myoung Lee and Kwang S.Kim
PP 4461-4471

TE The X~ ^{2}Pi and A~ ^{2}Sigma^{+} electronic states of the HCSi
radical: Characterization of the Renner-Teller effect in the ground state
AU Levent Sari, Jason M.Gonzales, Yukio Yamaguchi,
and Henry F.Schaefer III
PP 4472-4478

TE Fine-structure state resolved rotationally inelastic collisions
of CH(A ^{2}Delta,v=0) with Ar: A combined experimental and theoretical study
AU M.Kind, F.Stuhl, Yi-Ren Tzeng, Millard H.Alexander,
and Paul J.Dagdigian
PP 4479-4489

TE Stark field induced perturbations in the nu_{2}+3nu_{3}
vibrational overtone band of acetylene
AU J.A.Barnes, T.E.Gough, and M.Stoer
PP 4490-4495

TE Excitation of the symmetry forbidden bending mode in molecular
photoionization
AU J.Scott Miller, E.D.Poliakoff, Thomas F.Miller III,
Alexandra P.P.Natalense, and Robert R.Lucchese
PP 4496-4504

TE Competing isomeric product channels in the 193 nm
photodissociation of 2-chloropropene and in the unimolecular
dissociation of the 2-propenyl radical
AU Julie A.Mueller, Bradley F.Parsons, Laurie J.Butler, Fei Qi,
Osman Sorkhabi, and Arthur G.Suits
PP 4505-4521

TE A multifacet mechanism for the OH+HNO_{3} reaction: An ab initio
molecular orbital/statistical theory study
AU W.S.Xia and M.C.Lin
PP 4522-4532

TE The HF stretch red shift as a function of internal energy in
Ar_{n}-HF (n=12,54): Comparisons in the microcanonical ensemble
AU E.Curotto
PP 4533-4541

TE Ab initio calculations of excited states in C_{4}H and
implications for ultraviolet photodissociation
AU Stephan Graf, Johannes Geiss, and Samuel Leutwyler
PP 4542-4551

TE Solute-solute spatial distribution in hydrogen bonding liquids
probed with time-dependent intermolecular electron transfer
AU H.L.Tavernier and M.D.Fayer
PP 4552-4564

TE Bimolecular kinetics according to a stochastic analysis of reactant dynamics
AU Giorgio J.Moro and Maria Gabriella Severin
PP 4565-4578

TE Two-dimensional heterodyned and stimulated infrared photon
echoes of N-methylacetamide-D
AU Martin T.Zanni, Matthew C.Asplund, and Robin M.Hochstrasser
PP 4579-4590

TE Structure of the ambient temperature alkali metal molten salt AlCl_{3}/LiSCN
AU Yi-Chia Lee, David L.Price, Larry A.Curtiss, Mark A.Ratner,
and Duward F.Shriver
PP 4591-4594

TE Accurate relative pK_{a} calculations for carboxylic acids using
complete basis set and Gaussian-n models combined with continuum solvation 
methods
AU Ann Marie Toth, Matthew D.Liptak, Danielle L.Phillips,
and George C.Shields
PP 4595-4606

TE The effect of proton interactions on the conductivity behavior
in systems with superionic phases
AU Natalie I.Pavlenko and Ihor V.Stasyuk
PP 4607-4617

TE Multiple quantum magic-angle spinning using rotary resonance
excitation
AU Thomas Vosegaard, Pierre Florian, Dominique Massiot,
and Philip J.Grandinetti
PP 4618-4624

TE Heat capacity and turbidity near the critical point of
succinonitrile-water
AU A.W.Nowicki, Madhujit Ghosh, S.M.McClellan, and D.T.Jacobs
PP 4625-4633

TE Effects of induced steric hindrance on the dielectric behavior
and H bonding in the supercooled liquid and vitreous alcohol
AU G.P.Johari, O.E.Kalinovskaya, and J.K.Vij
PP 4634-4642

TE Rotation in liquid ^{4}He: Lessons from a highly simplified model
AU Kevin K.Lehmann
PP 4643-4648

TE Complete femtosecond linear free induction decay, Fourier
algorithm for dispersion relations, and accuracy of the rotating
wave approximation
AU Allison Albrecht Ferro, John D.Hybl, and David M.Jonas
PP 4649-4656

TE Photoabsorption of dioxasilyrane and silanone groups at the
surface of silica
AU Krishnan Raghavachari and Gianfranco Pacchioni
PP 4657-4662

TE Density functional theory studies of the adsorption of ethylene
and oxygen on Pt(111) and Pt_{3}Sn(111)
AU Ramchandra M.Watwe, Randy D.Cortright, Manos Mavrikakis,
Jens K.Norskov, and James A.Dumesic
PP 4663-4668

TE The CO oxidation kinetics on supported Pd model catalysts:
A molecular beam/in situ time-resolved infrared reflection
absorption spectroscopy study
AU J.Libuda, I.Meusel, J.Hoffmann, J.Hartmann, L.Piccolo,
C.R.Henry, and H.-J.Freund
PP 4669-4684

TE Physical aging and nanostructure of poly: Effect of methanol
AU S.Etienne, L.David, N.Surovtsev, and E.Duval
PP 4685-4689

TE Spectral line shapes in dissipative systems: Molecules adsorbed
on metal surfaces
AU S.Miret-Artes, D.A.Micha, and D.Beksic
PP 4690-4695

TE Effect of correlated random copolymers at a liquid-liquid
interface: Is it comparable with that of diblock copolymers?
AU N.A.Denesyuk
PP 4696-4701

TE Role of explicitly cooperative interactions in protein folding
funnels: A simulation study
AU Michael P.Eastwood and Peter G.Wolynes
PP 4702-4716

TE Conformational behavior of isolated polymers under an external
field in good solvents
AU Rob Wenczel and Chwen-Yang Shew
PP 4717-4723

TE Statics and dynamics of a single polymer chain confined in a tube
AU Yu-Jane Sheng and Meng-Chieh Wang
PP 4724-4729

TE Time-resolved atomic force microscopy imaging studies of asymmetric 
PS-b-PMMA ultrathin films: Dislocation and disclination transformations,
 defect mobility, and evolution of nanoscale morphology
AU J.Hahm and S.J.Sibener
PP 4730-4740

LETTERS TO THE EDITOR

TE Comment on the accuracy of absolute electron-impact ionization
cross sections for molecules
AU R.F.Stebbings and B.G.Lindsay
PP 4741-4743

TE Comment on "Reaction field treatment of charge penetration"
[J. Chem. Phys., v.112, 5558 (2000)]
AU Eric Cances and Benedetta Mennucci
PP 4744-4745

TE Adsorption-desorption kinetics and chemical potential of
adsorbed and gas-phase particles
AU V.P.Zhdanov
PP 4746-4748