Journal of Chemical Physics, 1998, V 108, N 18, 8 May.
TE Vibronic coupling and Jahn-Teller effect in negatively charged
benzene and [18]annulene
AU Kazunari Yoshizawa, Takashi Kato, and Tokio Yamabe
TE A non-orthogonal CI treatment of symmetry breaking in sigma
formyloxyl radical
AU Philippe Y.Ayala and H.Bernhard Schlegel
TE Consistent treatment of quantum-mechanical and classical degrees
of freedom in mixed quantum-classical simulations
AU Uwe Muller and Gerhard Stock
TE Optical properties of surface and bulk F centers
in MgO from ab initio cluster model calculations
AU Francesc Illas and Gianfranco Pacchioni
TE Efficient scalar spin relaxation in the
rotating frame for matched radio-frequency fields
AU N.R.Skrynnikov, S.F.Lienin, R.Bruschweiler and R.R.Ernst
TE Energy switching approach to potential surfaces.
III. Three-valued function for the water molecule
AU A.J.C.Varandas, A.I.Voronin, and P.J.S.B.Caridade
TE Chemiluminescent pathways in reactions of phosphorus, antimony
and bismuth with ozone to form dioxides and monoxides
AU Rodger P.Kampf and John M.Parson
TE Photoelectron distributions from femtosecond
pump/probe excitation with chirped probe pulses
AU S.Meyer, C.Meier, and V.Engel
TE A comparison between the CISD[TQ] wavefunction and other highly
correlated methods. Molecular geometry and harmonic vibrational
frequencies of MgH{_2}
AU Gregory S.Tschumper and Henry F.Schaefer III
TE The contribution of particle core and surface to strain, disorder
and vibrations in thiolcapped CdTE nanocrystals
AU Jorg Rockenberger, Larc Troger, Audrey L.Rogach, Markus Tischer,
Marius Grundmann, Alexander Eychmuller, and Horst Weller
TE Separability of spin-orbit and correlation energies
for the sixth-row main group hydride ground states
AU Gino A.DiLabio and Phillip A.Christiansen
TE The spectrum of antimony hydride. An ab initio configuration
interaction study employing a relativistic effective core potential
AU Aleksey B.Alekseyev, Heinz-Peter Liebermann, Rainer M.Lingott,
Ota Bludsky, and Robert J.Buenker
TE A quenching method in mixed quantum-classical
dynamics calculations on nonadiabatic problems
AU Lichang Wang
TE Erratum: The Gibbs-Thomson effect and intergranular
melting in ice emulsions. Interpreting the anomalous
heat capacity and volume of supercooled water
[J.Chem.Phys.107(23), 10154 (1997)]
AU G.P.Johari
TE AccuraTE modified configuration interaction single-centered
calculations for H{_2}{^+}
AU J.A.Kempe and S.P.Goldman
TE The millimeter wave spectrum of silver monoxide; AgO
AU T.Steimle, M.Tanimoto, K.Namiki, and S.Saito
TE Ab initio studies on the electronic excited states
and photodissociation of O{_3} anion
AU Qiang Cui and Keiji Morokuma
TE Photoelectron spectroscopy of Si{_n}H{^-} (n=2-4) anions
AU Cangshan Xu, Gordon R.Burton, Travis R.Taylor, and Daniel M.Neumark
TE The thermodynamic properties of the gaseous dimer of Cdl{_2}
AU Wioletta Kuncewicz-Kupczyk, Jan Kapala, Szczepan Roszak,
and Miroslaw Miller
TE Photodesorption of physisorbed molecules from a Ag(111) surface.
The low photon energy threshold and the low translational
temperature of desorbed molecules
AU Pui-Teng Howe and Hai-Lung Dai
TE Predissociation of the Na{_2} 4{^3}{DELTA}{_g}{^+} state
AU J.Li, Y.Liu, H.Chen, H.Gao, J.Xiang, D.Chen, G.Wu, Li Li,
and R.W.Field
TE Temperature dependence and dynamical instability
in the Hartley absorption system of ozone
AU Bruce R.Johnson, Bor-Yu Chang, Chih-Wei Hsiao,
Linh Le, and James L.Kinsey
TE The steric effect in a full dimensional quantum dynamics
simulation for the dissociative adsorption of H{_2} on Cu(111)
AU Jiqiong Dai and John C.Light
TE Angle-resolved spin-orbit autoionisation dynamics of Rydberg
electron wavepackets in Ar. A time-dependent MQDT approach.
AU J.A.Ramswell and H.H.Fielding
TE Theoretical study on the Rydberg states of NeH. Ab initio quantum
defect and complex coordinaTE calculations
AU Ioannis D.Petsalakis, Giannoula Theodorakopoulos, Yan Li,
Gerhard Hirsch, Robert J.Buenker, and Mark S.Child
TE Calculating the Keldysh adiabaticity parameter
for atomic diatomic and polyatomic molecules
AU Merrick J.DeWitt and Robert J.Levis
TE Study of a model polyelectrolyTE solution with
directional attractive forces between the macroions
AU Yu.V.Kalyuzhnyi and V.Vlachy
TE Frequency and wave-vector dependent dielectric function of water.
Collective modes and relaxation spectra
AU Philippe A.Bopp, Alexei A.Kornyshev, and Godehard Sutmann
TE Scanning near-field optical microscopy of cholesteric liquid
crystals
AU Thomas Huser, Heinz-Siegfried Kitzerow,
Thilo Lacoste, and Harry Heinzelmann
TE Adsorption hysteresis and pore critical temperature in a single
cylindrical pore
AU K.Morishige and M.Shikimi
TE Raman intensity study of scaling properties of Na{^+}, K{^+}, Ag{^+}
and Pb{^2+} doped NH{_4}NO{_3} crystals during phase transitions
AU Shuguo Ma, Guozhen Wu, and Huanru Wang
TE Density functional crystal orbital study on the normal vibrations
and phonon dispersion curves of all-trans polyethylene
AU So Hirata and Suehiro Iwata
TE Evolution of dissipative processes in a statistical thermodynamic
approach. I. Generalized Mori-Heisenberg-Langevin equations
AU Justino R.Madureira, Aurea R.Vasconcellos, Roberto Luzzi,
Jose Casas-Vazquez, and David Jou
TE Evolution of dissipative processes in a statistical thermodynamic
approach. II. Thermodynamic properties of a fluid of bosons
AU Justino R.Madureira, Aurea R.Vasconcellos,
Roberto Luzzi, Jose Casas-Vazquez, and David Jou
TE Simulations of the adhesion between molecularly
bonded surfaces in direct force measurements
AU R.Vijayendran, D.Hammer, and D.Leckband
TE Master equation analysis of deterministic chemical chaos
AU Hongli Wang and Qianshu Li
TE Macroscopic theory for equilibrium properties of ionic-dipolar
mixtures and application to an ionic model fluid
AU V.C.Weiss and W.Schroer
TE A polymer threading a membrane - model system for a molecular pump
AU Wilfried Carl
TE Molecular mechanisms for disparaTE miscibilities of poly(propylene)
and head-to-head poly(propylene) with other polyolefins
AU Karl F.Freed, Jacek Dudowicz, and K.W.Foreman
TE Depolarized light scattering in isotropic phase of liquid crystals
AU Tetsuya Shibata, Tatsuro Matsuoka, Shinobu Koda, and Hiroyasu Nomura
TE Solvent dependence of the first hyperpolarizability of
p-nitroanilines. Differences between non-specific
dipole-dipole interactions and solute-solvent H-bonds
AU Francois L.Huyskens, Pierre L.Huyskens, and Andre P.Persoons