The Journal of Chemical Physics, 2001, V 114, N 21, 1 June.
TE Traversal time for electron tunneling in water
AU Michael Galperin, Abraham Nitzan, and Uri Peskin
PP 9205-9208
ARTICLES
TE Nonrelativistic dynamics of particles with characteristic spins
and anomalous magnetic moments in a homogeneous magnetic field
AU Sambhu N.Datta and Anirban Misra
PP 9209-9219
TE Generalized forward-backward initial value representation for
the calculation of correlation functions in complex systems
AU Michael Thoss, Haobin Wang, and William H.Miller
PP 9220-9235
TE The calculation of ^{13}C chemical shielding tensors in ionic
compounds utilizing point charge arrays obtained from Ewald lattice sums
AU Dirk Stueber, Flavien N.Guenneau, and David M.Grant
PP 9236-9243
TE Gaussian basis sets for use in correlated molecular
calculations. X. The atoms aluminum through argon revisited
AU Thom H.Dunning, Jr., Kirk A.Peterson, and Angela K.Wilson
PP 9244-9253
TE Accelerating the calculation of energy levels and wave functions
using an efficient preconditioner with the inexact spectral transform method
AU Bill Poirier and Tucker Carrington, Jr.
PP 9254-9264
TE Onset of homogeneous oscillations in reactive systems
AU M.Malek Mansour, J.Dethier, and F.Baras
PP 9265-9275
TE Analysis on the Cina-Harris proposal for the preparation and
detection of chiral superposition states
AU Roberto P.Duarte-Zamorano and Victor Romero-Rochin
PP 9276-9286
TE Extension of Gaussian-3 theory to molecules containing third-row
atoms K, Ca, Ga-Kr
AU Larry A.Curtiss, Paul C.Redfern, Vitaly Rassolov, Gary Kedziora,
and John A.Pople
PP 9287-9295
TE Description of tunneling with the help of coupled frozen Gaussians
AU Dmitrii V.Shalashilin and Mark S.Child
PP 9296-9304
TE A natural decay of mixing algorithm for non-Born-Oppenheimer trajectories
AU Michael D.Hack and Donald G.Truhlar
PP 9305-9314
TE Systematic treatment of relativistic effects accurate through
arbitrarily high order in alpha^{2}
AU Maria Barysz
PP 9315-9324
TE Constructing global functional maps between molecular potentials
and quantum observables
AU J.M.Geremia, Herschel Rabitz, and Carey Rosenthal
PP 9325-9336
TE Rapid estimation of electronic degrees of freedom in Monte Carlo
calculations for polarizable models of liquid water
AU Michael W.Mahoney and William L.Jorgensen
PP 9337-9349
TE Studies of angular distributions and cross sections for
photodetachment from the oxygen molecular anion
AU Ping Lin and Robert R.Lucchese
PP 9350-9360
TE First high resolution analysis of the absorption spectrum of
propane in the 6.7 xm to 7.5 xm spectral region
AU J.-M.Flaud, W.J.Lafferty, and M.Herman
PP 9361-9366
TE Electronic states of the manganese dimer ion probed by
photodissociation spectroscopy
AU Akira Terasaki, Akira Matsushita, Kensuke Tono,
Ramkuber T.Yadav, Tina M.Briere, and Tamotsu Kondow
PP 9367-9370
TE A density-functional study of the structures and electronic
properties of C_{59}Ni and C_{60}Ni clusters
AU M.M.G.Alemany, O.Dieguez, C.Rey, and L.J.Gallego
PP 9371-9374
TE Relationship between the geometries, electronic structures, and
dopant atom of C_{35}B and C_{35}N
AU Ding Changgeng, Yang Jinlong, Han Rongsheng, and Wang Kelin
PP 9375-9379
TE Rationale for reagent reorientation in the activated bimolecular
reaction N(^{2}D)+H_{2}: Beyond the angular dependent line of center model
AU P.Larregaray, L.Bonnet, and J.C.Rayez
PP 9380-9389
TE The microwave spectrum of cobalt monoxide: Hyperfine
interactions in the X ^{4}Delta state
AU Kei-ichi C.Namiki and Shuji Saito
PP 9390-9394
TE Reaction pathway, energy barrier, and rotational state
distribution for Li (2 ^{2}P_{J})+H_{2}-->LiH (X ^{1}Sigma^{+})+H
AU Jye-Jong Chen, Yu-Ming Hung, Dean-Kuo Liu, Hok-Sum Fung, and King-Chuen Lin
PP 9395-9401
TE Multichannel quantum defect calculation of the phase lag in the
coherent control of HI
AU Helene Lefebvre-Brion, Tamar Seideman, and Robert J.Gordon
PP 9402-9407
TE Metastable size distributions of molecular clusters in
supersaturated vapors
AU S.H.Bauer, Yi-Xue Zhang, and C.F.Wilcox
PP 9408-9412
TE Rotationally resolved photoelectron spectroscopy of hot N_{2}
formed in the photofragmentation of N_{2}O
AU Anouk M.Rijs, Ellen H.G.Backus, Cornelis A.de Lange,
Maurice H.M.Janssen, Kwanghsi Wang, and Vincent McKoy
PP 9413-9420
TE HF inversion in the 2,5-dihydrofuran...HF complex
AU Juan C.Lopez, Susana Blanco, Alberto Lesarri, M.Eugenia Sanz,
Felipe J.Lorenzo, and Jose L.Alonso
PP 9421-9429
TE Ab initio investigation of the vertical and adiabatic excitation
spectrum of NO_{3}
AU Wolfgang Eisfeld and Keiji Morokuma
PP 9430-9440
TE Classical-limit analysis of the normal-to-local transition by
the algebraic effective Hamiltonian approach
AU Tokuei Sako, Kaoru Yamanouchi, and Francesco Iachello
PP 9441-9452
TE Photodissociation of water in the A~ band revisited with new
potential energy surfaces
AU Rob van Harrevelt and Marc C.van Hemert
PP 9453-9462
TE IR excitation of ethylene molecules and clusters embedded in
^{4}He droplets
AU Martina Kunze, Joerg Reuss, Jos Oomens, and David H.Parker
PP 9463-9469
TE Solvent nuclear quantum effects in electron transfer reactions.
III. Metal ions in water. Solute size and ligand effects
AU Koji Ando
PP 9470-9477
TE Multiple quantum coherence in HYSCORE spectra
AU Lorenz Liesum and Arthur Schweiger
PP 9478-9488
TE Calculation of mean distances between the randomly distributed
particles in the model of points and hard spheres (the method of
Voronoi polyhedra)
AU N.L.Lavrik and V.P.Voloshin
PP 9489-9491
TE Analysis of the recombination probability of geminate triplet
radical ion pairs at single encounter by means of magnetic field effects
AU N.L.Lavrik
PP 9492-9495
TE Approximate integral equation theory for classical fluids
AU Gari Sarkisov
PP 9496-9505
TE Theoretical study for partial molar volume of amino acids and
polypeptides by the three-dimensional reference interaction site model
AU Yuichi Harano, Takashi Imai, Andriy Kovalenko,
Masahiro Kinoshita, and Fumio Hirata
PP 9506-9511
TE The effect of the cooling rate on the fictive temperature in
some model glassy systems
AU V.Halpern and J.Bisquert
PP 9512-9517
TE Complete ab initio three-body nonadditive potential in Monte
Carlo simulations of vapor-liquid equilibria and pure phases of argon
AU Robert Bukowski and Krzysztof Szalewicz
PP 9518-9531
TE Chirality induction from chiral molecules to adsorbed monolayers
AU Makoto Yoneya and Hiroshi Yokoyama
PP 9532-9538
TE Benzene adsorption on Ir studied by low-energy electron
diffraction I-V analysis: Evidence for formation of tilted benzyne
AU K.Johnson, B.Sauerhammer, S.Titmuss, and D.A.King
PP 9539-9548
TE A comparative study of dissociative adsorption of NH_{3},
PH_{3}, and AsH_{3} on Si(001)-(2x1)
AU R.Miotto, G.P.Srivastava, R.H.Miwa, and A.C.Ferraz
PP 9549-9556
TE Dynamics and steady-state properties of photorefractive
poly(N-vinylcarbazole)-based composites sensitized with
(2,4,7-trinitro-9-fluorenylidene)malononitrile in a 0-3 wt % range
AU David Van Steenwinckel, Eric Hendrickx, and Andre Persoons
PP 9557-9564
TE McMillan-Mayer theory for solvent effects in inhomogeneous
systems: Calculation of interaction pressure in aqueous electrical double layers
AU Roland Kjellander, Alexander P.Lyubartsev, and Stjepan Marcelja
PP 9565-9577
TE Molecular dynamics simulation of supersaturated vapor nucleation
in slit pore. II. Thermostatted atomic-wall model
AU K.T.Kholmurodov, K.Yasuoka, and X.C.Zeng
PP 9578-9584
TE Capillary condensation of periodic phases in self-assembling systems
AU V.Babin, A.Ciach, and M.Tasinkevych
PP 9585-9592
TE Adsorption of a polydisperse soft-sphere fluid in a slit pore
AU Soon-Chul Kim
PP 9593-9598
TE On the computer simulation of silicate glass surfaces
AU V.A.Bakaev, W.A.Steele, and C.G.Pantano
PP 9599-9607
TE Measurement of molecular motion in solids by nuclear magnetic
resonance spectroscopy of half-integer quadrupole nuclei
AU J.H.Kristensen and I.Farnan
PP 9608-9624
TE A new crystalline phase of the electroluminescent material
tris(8-hydroxyquinoline) aluminum exhibiting blueshifted fluorescence
AU M.Braun, J.Gmeiner, M.Tzolov, M.Coelle, F.D.Meyer, W.Milius,
H.Hillebrecht, O.Wendland, J.U.von Schuetz, and W.Bruetting
PP 9625-9632
TE Optical properties of C_{60} nanocrystals embedded in a SiO matrix
AU T.Ohno, K.Matsuishi, and S.Onari
PP 9633-9637
TE Influence of isotopic substitution on the conformational
dynamics of frozen proteins
AU J.Schlichter, J.Friedrich, M.Parbel, and H.Scheer
PP 9638-9644
TE The segmental dynamics of a polymer electrolyte investigated by
coherent quasielastic neutron scattering
AU P.Carlsson, R.Zorn, D.Andersson, B.Farago, W.S.Howells, and L.Boerjesson
PP 9645-9656
TE Anomalous diffusion of water in a hydrogel of sucrose and
diepoxide monomers
AU H.F.Azurmendi and M.E.Ramia
PP 9657-9662
TE Kinetic Monte Carlo simulation of titin unfolding
AU Dmitrii E.Makarov, Paul K.Hansma, and Horia Metiu
PP 9663-9673
TE End effects of strongly charged polyelectrolytes: A molecular
dynamics study
AU Hans Joerg Limbach and Christian Holm
PP 9674-9682
LETTERS TO THE EDITOR
TE The importance of an accurate CH_{4} vibrational partition function in full
dimensionality calculations of the H+CH_{4}-->H_{2}+CH_{3} reaction
AU Joel M.Bowman, Dunyou Wang, Xinchuan Huang, Fermin Huarte-Larran~aga,
and U.Manthe
PP 9683-9684
TE Erratum: "Surface-rheological measurements on glass forming
polymers based on the surface tension driven decay of imprinted
corrugation gratings" [J. Chem. Phys., v.112, 4262 (2000)]
AU Marc Hamdorf and Diethelm Johannsmann
PP 9685
TE Erratum: "Triple-point wetting of Ne on solid CO_{2}" [J. Chem.
Phys., v.114, 1350 (2001)]
AU L.Bruschi, E.Paniz, and G.Mistura
PP 9685