The Journal of Chemical Physics, 2001, V 114, N 4, 22 January.
TE Coherent optical control over collective vibrations
traveling at lightlike speeds
AU Richard M.Koehl and Keith A.Nelson
PP 1443-1446
ARTICLES
TE Correct dissociation behavior of radical ions such as
H_{2}^{+} in density functional calculations
AU H.Chermette, I.Ciofini, F.Mariotti, and C.Daul
PP 1447-1453
TE A semiclassical approach to the dynamics of many-body
Bose/Fermi systems by the path integral centroid molecular dynamics
AU Kenichi Kinugawa, Hidemi Nagao, and Koji Ohta
PP 1454-1466
TE A single Lanczos propagation method for calculating transition
amplitudes. II. Modified QL and symmetry adaptation
AU Rongqing Chen and Hua Guo
PP 1467-1472
TE A symmetry-adapted Lanczos method for calculating energy levels
with different symmetries from a single set of iterations
AU Xiao-Gang Wang and Tucker Carrington, Jr.
PP 1473-1477
TE Relativistic dynamics of two spin-half particles in a
homogeneous magnetic field
AU Sambhu N.Datta and Anirban Misra
PP 1478-1490
TE Improved algorithm for corner-cutting tunneling calculations
AU Antonio Fernandez-Ramos and Donald G.Truhlar
PP 1491-1496
TE Efficiency of different numerical methods for solving Redfield equations
AU Ivan Kondov, Ulrich Kleinekathoefer, and Michael Schreiber
PP 1497-1504
TE Spin correlation function of benzene and naphthalene from
spin-coupled wave functions
AU B.Bomfleur, J.Voitlaender, M.Sironi, and M.Raimondi
PP 1505-1509
TE Interplay of non-Markovian relaxation and ultrafast optical
state preparation in molecular systems: The Laguerre polynomial method
AU T.Mancal and V.May
PP 1510-1523
TE Quantum dynamics using pseudo-particle trajectories: A new
approach based on the multiconfiguration time-dependent Hartree method
AU G.A.Worth
PP 1524-1533
TE Dimers of alkaline earth metal halide radicals, (MX)_{2} (M=Be,
Mg, Ca; X=F, Cl): A theoretical study
AU G.P.Li and I.P.Hamilton
PP 1534-1538
TE Preference of cluster isomers as a result of quantum
delocalization: Potential energy surfaces and intermolecular
vibrational states of Ne...HBr, Ne...HI, and HI(Ar)_{n} (n=1-6)
AU Petr Slavicek, Martina Roeselova, Pavel Jungwirth,
and Burkhard Schmidt
PP 1539-1548
TE Quantum-classical correspondence in the O(^{3}P)+HCl and
Cl(^{2}P)+OH reactions for total angular momentum J=0
AU Yongjing Lin, B.Ramachandran, Katsuyuki Nobusada, and Hiroki Nakamura
PP 1549-1558
TE Infrared spectra and density functional calculations of platinum hydrides
AU Lester Andrews, Xeufeng Wang, and Laurent Manceron
PP 1559-1566
TE Double proton transfer in the complex of acetic acid with
methanol: Theory versus experiment
AU Antonio Fernandez-Ramos, Zorka Smedarchina,
and Jesus Rodriguez-Otero
PP 1567-1574
TE Locally designed pulse shaping for selective preparation of
enantiomers from their racemate
AU K.Hoki, Y.Ohtsuki, and Y.Fujimura
PP 1575-1581
TE Tautomerism of 6-thioxanthine in the gas and aqueous phases
using AM1 and PM3 methods
AU Pervin Uenal Civcir
PP 1582-1588
TE Ground and valence excited states of C_{2}N and CN_{2}
transients: Ab initio geometries, electronic structures, and
molecular properties
AU Rajendra Pd.and P.Chandra
PP 1589-1600
TE Quantum wavepacket method for state-to-state reactive cross sections
AU Stuart C.Althorpe
PP 1601-1616
TE Photodissociation dynamics of CBrClF_{2} at 157.6 nm. I.
Experimental study using photofragment translational spectroscopy
AU Atsushi Yokoyama, Keiichi Yokoyama, and Toshiyuki Takayanagi
PP 1617-1623
TE Photodissociation dynamics of CBrClF_{2} at 157.6 nm. II. A
theoretical study using wave packet propagation
AU Keiichi Yokoyama, Atsushi Yokoyama, and Toshiyuki Takayanagi
PP 1624-1630
TE S_{1}-S_{2} vibronic coupling in cis-1,3,5-hexatriene. I.
Electronic structure calculations
AU Clemens Woywod, William C.Livingood, and John H.Frederick
PP 1631-1644
TE S_{1}-S_{2} vibronic coupling in cis-1,3,5-hexatriene. II.
Theoretical investigation of absorption and resonance Raman spectra
AU Clemens Woywod, William C.Livingood, and John H.Frederick
PP 1645-1662
TE Reactions at suprathreshold energy: Evidence of a kinematic
limit to the internal energy of the products
AU Carl A.Picconatto, Abneesh Srivastava, and James J.Valentini
PP 1663-1671
TE An experimental and ab initio reinvestigation of the Lyman-alpha
photodissociation of H_{2}S and D_{2}S
AU Phillip A.Cook, Stephen R.Langford, Richard N.Dixon,
and Michael N.R.Ashfold
PP 1672-1684
TE The role of rotation in the calculated ultraviolet
photodissociation spectrum of ozone
AU Mercedes Alacid and Claude Leforestier
PP 1685-1692
TE A first principle effective Hamiltonian for including
nonadiabatic effects for H_{2}^{+} and HD^{+}
AU David W.Schwenke
PP 1693-1699
TE Nonadiabatic transition-state theory: A Monte Carlo study of
competing bond fission processes in bromoacetyl chloride
AU Alison J.Marks
PP 1700-1708
TE Separation of spin-orbit coupled metastable states of Kr^{+} and
Xe^{+} by ion mobility
AU Brian K.Bluhm, Simon W.North, and David H.Russell
PP 1709-1715
TE Sequential ionization of C_{60} with femtosecond laser pulses
AU E.E.B.Campbell, K.Hoffmann, H.Rottke, and I.V.Hertel
PP 1716-1719
TE Formation of ammonium halide particles from pure ammonia and
hydrogen halide gases: A theoretical study on small molecular
clusters (NH_{3}-HX)_{n} (n=1, 2, 4; X=F, Cl, Br)
AU Bob Cherng and Fu-Ming Tao
PP 1720-1726
TE Phase equilibria and clustering in size-asymmetric primitive
model electrolytes
AU Qiliang Yan and Juan J.de Pablo
PP 1727-1731
TE Path-integral Monte Carlo study of the structural and mechanical
properties of quantum fcc and bcc hard-sphere solids
AU Luis M.Sese
PP 1732-1744
TE Analytical model of the fluorescence fluctuation spectroscopy
experiment
AU Eugene Novikov and Noeel Boens
PP 1745-1753
TE Integral encounter theories of multistage reactions. I. Kinetic
equations
AU K.L.Ivanov, N.N.Lukzen, A.B.Doktorov, and A.I.Burshtein
PP 1754-1762
TE Integral encounter theories of multistage reactions. II.
Reversible inter-molecular energy transfer
AU K.L.Ivanov, N.N.Lukzen, A.B.Doktorov, and A.I.Burshtein
PP 1763-1774
TE Electronic structures and dynamics of the excited triplet states
of alpha,omega-diphenylpolyynes
AU Yasutomo Nagano, Tadaaki Ikoma, Kimio Akiyama,
and Shozo Tero-Kubota
PP 1775-1784
TE Sequential quenching of square-well particles
AU Panu Danwanichakul and Eduardo D.Glandt
PP 1785-1790
TE Water structure changes induced by hydrophobic and polar solutes
revealed by simulations and infrared spectroscopy
AU Kim A.Sharp, Bhupinder Madan, Eric Manas, and Jane M.Vanderkooi
PP 1791-1796
TE Temperature-independent hole mobility in discotic liquid crystals
AU T.Kreouzis, K.J.Donovan, N.Boden, R.J.Bushby, O.R.Lozman, and Q.Liu
PP 1797-1802
TE Energy gap of a molecularly doped polymer measured by a new
method of electron spectroscopy: Measurement of charge transfer force
AU Chikara Manabe, Taishi Shigematsu, Hiroyuki Watanabe,
and Masaaki Shimizu
PP 1803-1806
TE Direct observation of graphite layer edge states by scanning
tunneling microscopy
AU P.L.Giunta and S.P.Kelty
PP 1807-1812
TE Formation of quantum-dot quantum-well heteronanostructures with
large lattice mismatch: ZnS/CdS/ZnS
AU Reginald B.Little, Mostafa A.El-Sayed, Garnett W.Bryant,
and Susan Burke
PP 1813-1822
TE Secondary ion emission from Ar, Kr, Xe, N_{2}, O_{2}, CO, and
SF_{6} adsorbed on Pt(111): Relation between neutralization of
sputtered ions and bond nature of adsorbates
AU Ryutaro Souda
PP 1823-1830
TE Frictional properties of thin chain alcohol films
AU F.Mugele and M.Salmeron
PP 1831-1836
TE Structure of the acetone liquid/vapor interface
AU Yuh Ling Yeh, Chun Zhang, Hermann Held, A.M.Mebel, Xing Wei,
S.H.Lin, and Y.R.Shen
PP 1837-1843
TE Low-energy electron-induced processes in condensed CF_{2}Cl_{2} films
AU M.N.Hedhili, M.Lachgar, Y.Le Coat, R.Azria, M.Tronc, Q.B.Lu,
and T.E.Madey
PP 1844-1850
TE Effect of confinement on chemical reaction equilibria: The
reactions 2NO<==>(NO)_{2} and N_{2}+3H_{2}<==>2NH_{3} in carbon micropores
AU C.Heath Turner, J.Karl Johnson, and Keith E.Gubbins
PP 1851-1859
TE Relativistic effects on the optical response of InSb by
time-dependent density-functional theory
AU F.Kootstra, P.L.de Boeij, H.Aissa, and J.G.Snijders
PP 1860-1865
TE Aluminum doping of poly(vinylidene fluoride with
trifluoroethylene) copolymer
AU B.Xu, C.N.Borca, S.Ducharme, A.V.Sorokin, P.A.Dowben,
V.M.Fridkin, S.P.Palto, N.N.Petukhova, and S.G.Yudin
PP 1866-1869
TE Theory and experiment of coherent wave packet dynamics in rare
earth solids: Absorption spectrum vs femtosecond fringe-resolved
interferogram
AU Q.Luo, D.C.Dai, G.Q.Wang, V.Ninulescu, X.Y.Yu, L.Luo, J.Y.Zhou,
and YiJing Yan
PP 1870-1875
TE Polyisoprene local dynamics in solution: Comparison between
molecular dynamics simulations and high order diffusion theory
AU Giovanni La Penna, Paola Carbone, Rita Carpentiero,
Arnaldo Rapallo, and Angelo Perico
PP 1876-1886
TE Examining the rheology of 9-octylheptadecane to giga-pascal pressures
AU Clare McCabe, Shengting Cui, Peter T.Cummings, Peter A.Gordon,
and Roland B.Saeger
PP 1887-1891
TE Protein-membrane electrostatic interactions: Application of the
Lekner summation technique
AU Andre H.Juffer, Craig M.Shepherd, and Hans J.Vogel
PP 1892-1905
TE Sequence design in lattice models by graph theoretical methods
AU B.S.Sanjeev, S.M.Patra, and S.Vishveshwara
PP 1906-1914
TE Perturbative polydispersity: Phase equilibria of near-monodisperse systems
AU R.M.L.Evans
PP 1915-1931
TE Chemoconvection: A chemically driven hydrodynamic instability
AU M.A.Bees, A.J.Pons, P.G.Sorensen, and F.Sagues
PP 1932-1943
LETTERS TO THE EDITOR
TE Erratum: "A relationship between centroid dynamics and path
integral quantum transition state theory" [J. Chem. Phys.,v.112, 8747 (2000)]
AU Seogjoo Jang and Gregory A.Voth
PP 1944