Journal of Chemical Physics
22 Sep 1996, V105, N12.
%T Extensive "ab-initio" study of the OH + HCN reaction: Low lying
electronic states of the stationary points on the {^2}A' surface
%A A. Palma, E. Semprini, F. Stefani, and A. Talamo
%T Saddle-node bifurcations in the LiNC/LiCN molecular
system. Classical aspects and quantum manifestations
%A F. Borondo, A.A. Zembekov, and R.M. Benito
%T Nuclear quadrupole coupling operator for a molecule with an internal rotor
%A Yun-Bo Duan, Zhen-Dong Sun, and Kojiro Takagi
%T Phase behaviors of supercooled water. Reconciling
a critical point of amorphous ices with spinodal instability
%A Hideki Tanaka
%T Conservation of the Kr{^+}({^2}P{_1/2}) state in the reactive quenching of
Kr(5s'[1/2]{_0}) atoms by halogen-containing molecules
%A D. Zhong, D.W. Setser, R. Sobczynski, and W. Gadomski
%T Structure and intermolecular motions of the water dimer anion
%A Y. Bouteiller, C. Desfrancois, H. Abdoul-Carime, J.P. Schermann
%T Coadsorption of hydrogen with ethylene and acetylene on Si(100)-(2x1)
%A W. Widdra, C. Huang, S.I. Yi, and W.H. Weinberg
%T Ab initio model potential calculations on the electronic spectrum of
Ni{^2+}-doped MgO including correlation, spin-orbit and embedding effects
%A Rosa Llusar, Marcos Casarrubios, Zoila Barandiaran, and Luis Seijo
%T Hydration of Ni{^2}{^+} and Cl{^-} in a concentrated
nickel chloride solution at 100{^o}C and 300{^o}C
%A P.H.K. de Jong, G.W. Neilson, and M.-C. Bellissent-Funel
%T Spectroscopy and electron detachment dynamics of
C{_4}{^-}, C{_6}{^-}, and C{_8}{^-}
%A Yuexing Zhao, Esther de Beer, Cangshan Xu, Travis Taylor,
and Daniel M. Neumark
%T The ultrafast intramolecular dynamics of phthalocyanine and prophyrin
derivatives
%A Qinghua Zhong, Zhaohui Wang, Yunqi Liu, Qihe Zhu, and Fanao Kong
%T Reliable anisotropic dipole properties, and dispersion energy
coefficients, for O{_2} evaluated using constrained dipole oscillator
strengths techniques
%A Ashok Kumar, William J. Meath, Peter Bundgen, and Ajit J. Thakkar
%T Relativistic calculation of the electronic structure of the IF molecule
%A O. Cabrol, B. Girard, F. Spiegelmann, and C. Teichteil
%T A new implementation of the second-order polarization propagator
approximation (SOPPA). The excitation spectra of benzene and naphthalene
%A Martin J. Packer, Erik K. Dalskov, Thomas Enevoldsen, H.J. Aa. Jensen,
and Jens Oddershede
%T An analysis of rotational transition probabilities and cross sections
using close coupling, hard shape and classical trajectory methods
%A J.C. Belchior and J.P. Braga
%T Time-dependent morphology changes in thin silver films on mica.
A scaling analysis of AFM results
%A David J. Semin, Alan Lo, Shane E. Roark, Rex T. Skodje,
and Kathy L. Rowlen
%T Adsorbed state of thiophene on Si(100)-(2x1) surface studied by electron
spectroscopic techniques and semi-empirical methods
%A Hyun Dam Jeong, Yoon Sup Lee, and Sehun Kim
%T Long-range potential of B1({^3}{SIGMA}{^+}) state based on a
near-dissociation expansion of the mercury-argon molecules
%A J. Koperski
%T Microwave spectrum of silylidene, H{_2}CSi
%A Mitsuaki Izuha, Satoshi Yamamoto, and Shuji Saito
%T Variational calculations of vibrational states of N{_2}O using
hyperspherical normal coordinates
%A Jose Zuniga, Mercedes Alacid, Adolfo Bastida, and Alberto Requena
%T A theoretical study of CH{_4} dissociation on pure and gold-alloyed
Ni(111) surfaces
%A P. Kratzer, B. Hammer, and J.K. Norskov
%T A spectral filter approach to the wave operator treatment of large
matrix eigenvalue problems
%A G. Jolicard, A. Grosjean, and J.P. Killingbeck
%T Rotating around the quartic angular momentum barrier in fast multipole
method calculations
%A Christopher A. White and Martin Head-Gordon
%T Structure and bonding in mixed silicon-carbon clusters and their anions
%A S. Hunsicker and R.O. Jones
%T Quantum chemical study of carbon monoxide adsorption at the MgO (100)
surface
%A Karl Jug and Gerald Geudtner
%T On the scattering phenomena for various kinds of polarized light in a
nonpolar fluid composed of chiral molecules
%A Dong J. Lee and Kyoung-Ran Kim
%T Molecular dynamics of linear and branched alkanes.
Simulations and NMR results
%A Maurizio Mondello, Gary S.Grest, Armando R.Garcia,
and Bernard G. Silbernagel
%T Computer simulation study of the Rayleigh light
scattering in the isotropic phase of PCH5
%A Sergei Ye. Yakovenko, Anatoli A. Muravski, Frank Eikelschulte,
and Alfons Geiger
%T Double screening in polyelectrolyte solutions.
Limiting laws and crossover formulas
%A M. Muthukumar
%T Molecular dynamics simulation for the cluster formation process of
Lennard-Jones potential particles. Magic numbers and characteristic
features
%A Tamio Ikeshoji, Bjorn Hafskjold, Yuichi Hashi, and Yoshiyuki Kawazoe
%T Fluctuation-dominated A + B --> 0 kinetics under
short-ranged interparticle interactions
%A G. Oshanin, I.M. Sokolov, P. Argyrakis, and A. Blumen
%T Transformation kinetics in 1-D processes with continuous nucleation.
The effect of shielding
%A Michael C. Weinberg and Dunbar P. Birnie III
%T Experimental investigation of binary nucleation rates of water-n-propanol
and water-n-butanol vapors by means of a pex-tube
%A T. Rodemann and F. Peters
%T Fluctuations in the number of particles adsorbed
under the influence of diffusion and flow
%A Zbigniew Adamczyk, Barbara Siwek, Lilianna Szyk, and Maria Zembala
%T Note on the nonequilibrium partition function and generalized potentials
%A Byung Chan Eu
%T Shear-flow effects on self-assembly of semidilute solutions of
off-critical polymer mixtures. Shear-hysteresis effects
%A Koji Asakawa and Takeji Hashimoto
%T Reversible diffusion-controlled reactions between
two species in a fluid
%A B.U. Felderhof and R.B. Jones