The Journal of Chemical Physics, 2001, V 114, N 8, February 22.

 
TE On product state distributions in triatomic unimolecular
reactions: Beyond phase space theory and the adiabatic assumption
AU P.Larregaray, L.Bonnet, and J.C.Rayez
PP 3349-3364

TE Nature of polarized excitons
AU T.Ambjoernsson and S.P.Apell
PP 3365-3372

TE Dynamical theory of time-resolved fluorescence with pulse excitation
AU Jing Lu, Fang-wei Shao, Kang-nian Fan, and Si-de Du
PP 3373-3379

TE Dipole moments of adiabatic excited states using the Fock space
multireference coupled-cluster analytic response approach
AU D.Ajitha and Sourav Pal
PP 3380-3384

TE A method for ab initio nonlinear electron-density evolution
AU Roi Baer and Recca Gould
PP 3385-3392

TE Non-Born-Oppenheimer calculations on the LiH molecule with
explicitly correlated Gaussian functions
AU C.E.Scheu, Donald B.Kinghorn, and Ludwik Adamowicz
PP 3393-3397

TE Exchange energy in a double-well potential profile from
fluctuation theory
AU Michele Battezzati and Valerio Magnasco
PP 3398-3407

TE Correlation consistent valence basis sets for use with the
Stuttgart-Dresden-Bonn relativistic effective core potentials:
The atoms Ga-Kr and In-Xe
AU Jan M.L.Martin and Andreas Sundermann
PP 3408-3420

TE CO^{+} B ^{2}Sigma^{+}(nu=0) emission induced by laser
excitation of neutral CO at 230 nm
AU F.Di Teodoro and R.L.Farrow
PP 3421-3428

TE Electron scattering from gaseous SF_{6}: Comparing calculations
with experiments
AU F.A.Gianturco and R.R.Lucchese
PP 3429-3439

TE Exploring the transition state for the Li+HF-->LiF+H reaction
through the A<-X absorption spectrum and X<-A stimulated emission pumping
AU Alfredo Aguado, Manuel Lara, Miguel Paniagua, and Octavio Roncero
PP 3440-3448

TE Energetics and dissociative photodetachment dynamics of
superoxide-water clusters: O_{2}^{-}(H_{2}O)_{n}, n=1-6
AU A.K.Luong, T.G.Clements, M.Sowa Resat, and R.E.Continetti
PP 3449-3455

TE Angular trapping and rotational dissociation of a diatomic
molecule in an optical centrifuge
AU M.Spanner and M.Yu.Ivanov
PP 3456-3464

TE Direct-fitting approach to the analysis of high-resolution
optical spectra: Monte Carlo and experimental studies of OH A(0)-->X(0) spectra
AU Joel Tellinghuisen
PP 3465-3475

TE Reaction of the ethynyl radical, C_{2}H, with methylacetylene,
CH_{3}CCH, under single collision conditions: Implications for astrochemistry
AU Frank Stahl, Paul von Rague Schleyer, H.F.Bettinger, R.I.Kaiser,
Y.T.Lee, and H.F.Schaefer III
PP 3476-3487

TE Chemical dynamics of d1-methyldiacetylene (CH_{3}CCCCD; X
^{1}A_{1}) and d1-ethynylallene (H_{2}CCCH(C_{2}D); X ^{1}A')
formation from reaction of C_{2}D(X ^{2}Sigma^{+}) with
methylacetylene, CH_{3}CCH(X ^{1}A_{1})
AU R.I.Kaiser, C.C.Chiong, O.Asvany, Y.T.Lee, F.Stahl,
P.von R.Schleyer, and H.F.Schaefer III
PP 3488-3496

TE Highly excited vibronic eigenfunctions in a multimode
nonadiabatic system with Duschinsky rotation
AU Hiroshi Fujisaki and Kazuo Takatsuka
PP 3497-3507

TE Perturbation-allowed rotational transitions and A_{1}-A_{2}
splitting transitions in the ground, v_{2}=1 and v_{4}=1
vibrational states of SbH_{3} observed by microwave Fourier
transform spectroscopy: Extension of the effective hyperfine Hamiltonian
AU H.Harder, C.Gerke, and L.Fusina
PP 3508-3523

TE Proton transfer and tautomerization in 7-hydroxyquinoline-(NH_{3})_{n} 
clusters: Structure and energetics at the self-consistent field level
AU Stephane Coussan, Markus Meuwly, and Samuel Leutwyler
PP 3524-3534

TE Investigation of J dependence of line shift, line broadening,
and line narrowing coefficients in the nu_{1}+3nu_{3} absorption
band of acetylene
AU Hamid Valipour and Dieter Zimmermann
PP 3535-3545

TE The unimolecular dissociation of the propionyl radical: A
classical dynamics study
AU Emilio Martinez-Nun~ez, Angeles Pen~a-Gallego, and Saulo A.Vazquez
PP 3546-3553

TE Electron-ion recombination rate constants in dense gaseous argon
and krypton: Effects of electric field strength and the addition 
of N_{2} or CH_{4}
AU Koki Takeda, Ryoichi Kato, Masashi Hayashida, Takahiro Odaka,
Kyoji Shinsaka, Kosei Kameta, Takeshi Odagiri, Noriyuki Kouchi,
and Yoshihiko Hatano
PP 3554-3561

TE An inhomogeneous integral equation for the triplet structure of
binary liquids
AU S.Jorge, E.Lomba, and J.L.F.Abascal
PP 3562-3569

TE Vibrational spectra of germanium-carbon clusters. I.
Identification of the nu_{3}(sigma_{u}) mode of linear GeC_{3}Ge
AU D.L.Robbins, C.M.L.Rittby, and W.R.M.Graham
PP 3570-3574

TE Solvation in high-temperature electrolyte solutions. III.
Integral equation calculations and interpretation of experimental data
AU A.A.Chialvo, P.G.Kusalik, P.T.Cummings, and J.M.Simonson
PP 3575-3585

TE A unified treatment of ultrafast optical heterodyne detected and
Z-scan spectroscopies
AU J.A.Gardecki, G.Yu, S.Constantine, J.Peng, Y.Zhou,
and L.D.Ziegler
PP 3586-3597

TE Instantaneous normal mode analysis of hydrated electron solvation dynamics
AU Chao-Yie Yang, Kim F.Wong, Munir S.Skaf, and Peter J.Rossky
PP 3598-3611

TE A new united atom force field for alpha-olefins
AU Shyamal K.Nath, Brian J.Banaszak, and Juan J.de Pablo
PP 3612-3616

TE Effect of competition between Coulomb and dispersion forces on
phase transitions in ionic systems
AU A.Ciach and G.Stell
PP 3617-3630

TE Anisotropic jump model of the rotational dynamics in glasses
AU L.Alessi, L.Andreozzi, M.Faetti, and D.Leporini
PP 3631-3639

TE Study of the nature of glass transitions in the plastic
crystalline phases of cyclo-octanol, cycloheptanol,
cyanoadamantane and cis-1,2-dimethylcyclohexane
AU Madhusudan Tyagi and S.S.N.Murthy
PP 3640-3652

TE A closer look at crystallization of parallel hard cubes
AU Benito Groh and Bela Mulder
PP 3653-3658

TE Precise determination of the critical percolation threshold for
the three-dimensional "Swiss cheese" model using a growth algorithm
AU Christian D.Lorenz and Robert M.Ziff
PP 3659-3661

TE Raman free-induction-decay measurements in low viscosity and
supercooled toluene: Vibrational dephasing by shear fluctuations
AU Hugh W.Hubble, Tianshu Lai, and Mark A.Berg
PP 3662-3673

TE Ground state of the quantum anisotropic planar rotor model: A
finite size scaling study of the orientational order-disorder phase transition
AU Balazs Hetenyi and Bruce J.Berne
PP 3674-3682

TE Ionic interactions in molten complex chlorides from vibrational dephasing
AU S.A.Kirillov, G.A.Voyiatzis, I.S.Musiyenko, G.M.Photiadis,
and E.A.Pavlatou
PP 3683-3691

TE Investigation of one- and two-dimensional vibrational density of
states using two-phonon infrared absorption spectroscopy
AU P.Jakob
PP 3692-3702

TE Ab initio investigation of the adsorption of benzene in mordenite
AU Th.Demuth, L.Benco, J.Hafner, H.Toulhoat, and F.Hutschka
PP 3703-3712

TE The ice/water interface: Molecular dynamics simulations of the
basal, prism,, and interfaces of ice Ih
AU Jennifer A.Hayward and A.D.J.Haymet
PP 3713-3726

TE Atomistic computer simulation of the clay-fluid interface in
colloidal laponite
AU R.J.F.Leote de Carvalho and N.T.Skipper
PP 3727-3733

TE Domain patterns in ternary mixtures with different interfacial
properties
AU Yu-qiang Ma
PP 3734-3738

TE Enhanced response properties of a chromophore physisorbed on a
metal particle
AU S.Corni and J.Tomasi
PP 3739-3751

TE Microcalorimetric measurements of the heat of absorption of Pb
on well-defined oxides: MgO(100) and p(2x1)-oxide on Mo(100)
AU D.E.Starr, D.J.Bald, J.E.Musgrove, J.T.Ranney, and C.T.Campbell
PP 3752-3764

TE Quasi-one- and two-dimensional transitions of gases adsorbed on
nanotube bundles
AU S.M.Gatica, M.J.Bojan, G.Stan, and M.W.Cole
PP 3765-3769

TE Formation of Liesegang patterns: Simulations using a kinetic Ising model
AU T.Antal, M.Droz, J.Magnin, A.Pekalski, and Z.Racz
PP 3770-3775

TE Does lattice vibration drive diffusion in zeolites?
AU Dmitry I.Kopelevich and Hsueh-Chia Chang
PP 3776-3789

TE Potential energy surfaces of image potential states
AU Solvejg Jorgensen, Mark A.Ratner, and Kurt V.Mikkelsen
PP 3790-3799

TE Wavefunctions and eigenvalues of image potential states
AU Solvejg Jorgensen, Mark A.Ratner, and Kurt V.Mikkelsen
PP 3800-3808

TE Gel-gel adhesion by tethered polymers
AU Yanbin Huang, Igal Szleifer, and Nikolaos A.Peppas
PP 3809-3816

TE Volume phase transitions of nematic gels under an external field
AU Akihiko Matsuyama and Tadaya Kato
PP 3817-3822

TE Simulation of protein folding by reaction path annealing
AU Peter Eastman, Niels Gronbech-Jensen, and Sebastian Doniach
PP 3823-3841

TE Forced Rayleigh scattering studies of tracer diffusion in a
nematic liquid crystal: The relevance of complementary gratings
AU Daniel R.Spiegel, Alexis L.Thompson, and Wesley C.Campbell
PP 3842-3847

TE Observation of multiple step de-excitation in luminescent single
conjugated polymers
AU J.D.White, J.H.Hsu, Shu-Chun Yang, W.S.Fann, G.Y.Pern,
and S.A.Chen
PP 3848-3852