Journal of Chemical Physics
01 Sep 1997, V107, N9.
%T All-electron Dirac-Fock-Roothaan calculations for the ThO molecule
%A Yoshihiro Watanabe and Osamu Matusuoka
%T Dynamics of quantum particles by path-integral centroid
simulations.The symmetric Eckart barrier
%A Rafael Ramirez
%T Vibronic analysis of the ion-pair
(EO{^+}) <-- ground state (XO{^+}) transition of BrCl
%A P.Wang, S.S.Dimov, and R.H.Lipson
%T Vibrational eigenvalues and eigenfunctions for planar acetylene by
wavepacket propagation, and its mode-selective infrared excitation
%A Li Liu and James T.Muckerman
%T Study of the methanol trimer potential energy surface
%A O.Mo, M.Yanez, and J.Elguero
%T A theory for nonisothermal unimolecular reaction rates
%A Eli Pollak, Peter Talkner, and Alexander M.Berezhkovskii
%T Pump-probe spectroscopy of dissipative energy transfer dynamics
in photosynthetic antenna complexes. A density matrix approach
%A Oliver Kuhn and Villy Sundstrom
%T The relevance of the Laplacian of intracule and extracule
density distributions for analyzing electron-electron
interactions in molecules
%A Xavier Fradera, Miquel Duran, and Jordi Mestres
%T Optimal pump-dump control. Linearization and symmetry relation
%A YiJing Yan
%T Solvation of the methoxy radical in small clusters
%A J.A.Fernandez, J.Yao, and E.R.Bernstein
%T On the formation and vibronic spectroscopy of {alpha}-halobenzyl
radicals in a supersonic expansion
%A Jianlong Yao and Elliot R.Bernstein
%T Fragmentation analysis of size selected sodium clusters
%A Ingolf V.Hertel, Claus Peter Schulz,
Alexander Goerke, Hartmut Palm, and Gregor Leipelt
%T Quantum-tunneling versus thermally activated
electron transfer in Ohmic and non-Ohmic heat baths
%A Jau Tang and Sheng Hsien Lin
%T Calculations of the excitation energies of all-trans and
11,12s-dicis retinals using localized molecular orbitals
obtained by the elongation method
%A Youji Kurihara, Yuriko Aoki, and Akira Imamura
%T Photoelectron spectroscopy of C{_4}{^-}, C{_6}{^-}, and C{_8}{^-}
%A Cangshan Xu, Gordon R.Burton, Travis R.Taylor, and Daniel M.Neumark
%T Electron transfer via bridges
%A M.Bixon and Joshua Jortner
%T Subdoppler study of the {nu}{_3} = 2 state of SF{_6}
by IR-IR double resonance with a sideband spectrometer
%A M.Khelkhal, E.Rusinek, J.Legrand, F.Herlemont, and G.Pierre
%T One- and two-pulsed field ionization spectra of NO.
High-lying Rydberg states near ionization threshold
%A Shin-ichiro Sato and Katsumi Kimura
%T Automatic potential energy surface generation directly from
ab initio calculations using Shepard interpolation. A test
calculation for the H{_2} + H system
%A Toshimasa Ishida and George C.Schatz
%T Low-lying electronic states of lanthanocenes and
actinocenes M(C{_8}H{_8}){_2} (M = Nd,Tb,Yb,U)
%A Wenjian Liu, Michael Dolg, and Peter Fulde
%T Four mathematical dimensional quantum mechanical study of
tetra-atom systems. State-to-state J=0 probabilities for
the H{_2} + OH --> H{_2}O + H reaction
%A Henrik Szichman, Michael Baer, and Hiroki Nakamura
%T Low energy electron total scattering cross section
for the production of CO within condensed methanol
%A M.Lepage, M.Michaud, and L.Sanche
%T First-principles study of the structural and electronic
properties of ethylene adsorption on Si(100)-(2x1) surface
%A Wei Pan, Tianhai Zhu, and Weitao Yang
%T Extended ensemble molecular dynamics method for constant
strain rate uniaxial deformation of polymer systems
%A Liu Yang, David J.Srolovitz, and Albert F.Yee
T Comment on: Order of wetting transitions in polymer mixtures
[J.Chem.Phys.106, 1257 (1997)]
%A Gerald G.Pereira
%T Theory of interaction between helical molecules
%A A.A.Kornyshev and S.Leikin
%T Comparison of experiments and modern theories of crystal nucleation
%A Laszlo Granasy and Ferenc Igloi
%T Adsorption of fluid vesicles
%A A.Baumgaertner and Somendra M.Bhattacharjee
%T High-accuracy discrete path-integral solutions for stochastic
processes with noninvertible diffusion matrices.
II. Numerical evaluation
%A Alexander N.Drozdov
%T Quantitative calculation of spontaneous polarization
in ferroelectric liquid crystals
%A Andreas F.Terzis, Demetri J.Photinos, and Edward T.Samulski
%T Dynamics of polybutadienes with different microstructures.
2. Dielectric response and comparisons with rheological behavior
%A Reiner Zorn, Frederick I.Mopsik, Gregory B.McKenna, Lutz Willner,
and Dieter Richter
%T Monte Carlo simulation studies of electrolyte
in mixture with a neutral component
%A J.Rescic, V.Vlachy, L.B.Bhuiyan, and C.W.Outhwaite