Journal of Chemical Physics
08 Nov 1997, V107, N18.
%T A semi-classical model of the angular distribution of the
photofragments of predissociating molecules
%A Rohana Liyanage and Robert J.Gordon
%T Dynamic behavior of the monomer-monomer surface
reaction model with adsorbate interactions
%A Christopher A.Voigt and Robert M.Ziff
%T Dynamic behavior of the monomer-monomer surface
reaction model with adsorbate interactions
%A Christopher A.Voigt and Robert M.Ziff
%T ZEKE spectroscopy with coherent vacuum ultraviolet radiation.
The X{^2}{SIGMA}{^+}{_g} and A{^2}{PI}{_u} states of N{_2}{^+} in
the 15.5eV to 17.7eV photon energy range
%A J.W.Hepburn
%T A laser photofragmentation time-of-flight mass
spectrometric study of acetophenone at 193 and 248 nm
%A H.-Q.Zhao, Y.-S.Cheung, C.-L.Liao, C.-X.Liao, C.Y.Ng, and W.-K.Li
%T Distributions of rovibrational states of secondary product NO
X{^2}{PI} from photodissociation of nitric acid at 193 nm
%A Gen-Hou Leu and I-Chia Chen
%T Thermal rate constant calculation using flux-flux autocorrelation
functions. Application to Cl + H{_2} --> HCL + H reaction
%A Haobin Wang, Ward H.Thompson, and William H.Miller
%T Ab initio studies on the structures, vertical electron
detachment energies and stabilities of C{_n}P{^-} clusters
%A Chang-Guo Zhan and Suehiro Iwata
%T State-specific lifetime determination of the a{^3}{PI} state in CO
%A Rienk T.Jongma, Giel Berden, and Gerard Meijer
%T Infrared multiphoton dissociation of two perfluorobutenes
%A Cheryl A.Longfellow, Cindy L.Berrie, Arthur G.Suits, and Yuan T.Lee
%T Total differential cross sections and differential energy loss
spectra for He-C{_2}H{_2} from an ab initio potential
%A Tino G.A.Heijmen, Robert Moszynski, Paul E.S.Wormer,
Ad van der Avoird, Udo Buck, Ingo Ettischer, and R.Krohne
%T Velocity modulated laser absorption spectroscopy of TiCl{^+}
%A Leonid A.Kaledin and Michael C.Heaven
%T Time correlation functions for mixed quantum-
semiclassical systems
%A J.Liam McWhirter
%T Detection of cyclic carbon clusters. II. Iso-
topic study of the {nu}{_12}(e{_u}) mode of cyclic C{_8} in
solid Ar
%A S.L.Wang, C.M.L.Rittby, and W.R.M.Graham
%T Theory of coherent Raman scattering with quasi-cw
noisy light for a general lineshape function
%A Darin J.Ulness, Jason C.Kirkwood,
Michael J.Stimson, and A.C.Albrecht
%T The current in magnetic field density functional theory and its
application to the chemical shielding and magnetic susceptibility
%A Freddie R.Salsbury, Jr., and Robert A.Harris
%T Effect of the length and geometry on HOMO-LUMO gap of conjugated
oligomers. An analytical Huckel model approach
%A Alexander Onipko, Yuriy Klymenko, and Lyuba Malysheva
%T The nature of metal-oxide chemical bond. Electronic
structure of PdMgO and PdOMg molecules
%A Nuria Lopez and Francesc Illas
%T ESR matrix isolation studies of {^27}Al{^16,17}O,
{^69,71}Ga{^16,17}O and {^115}In{^16,17}O. Observed hyperfine
interaction compared with ab initio theoretical results
%A Lon B.Knight, Jr., Thomas J.Kirk, John Herlong,
John G.Kaup, and E.R.Davidson
%T Photochemistry of hydrogen peroxide in solid argon
%A L.Khriachtchev, M.Pettersson, S.Tuominen, and M.Rasanen
%T Laser-induced fluorescence spectroscopy of Ar{_2}HF at v{_HF} = 3.
An examination of three-body forces
%A Cheng-Chi Chuang, Susy N.Tsang, Jason G.Hanson, William Klemperer,
and Huan-Cheng Chang
%T Photoelectron imaging spectroscopy for (2+1) resonance-enhanced
multiphoton ionization of atomic iodine produced from A-band
photolysis of CH{_3}I
%A Young-Jae Jung, Yong Shin Kim, Wee Kyung Kang, and Kyung-Hoon Jung
%T Multiple quantum NMR in one-dimensional quantum spin chains
%A Edward B.Fel'dman and Serge Lacelle
%T Predissociation of H{_2} in the Rydberg states
%A Hong Gao
%T FTIR spectroscopy of UF{_6} clustering in a supersonic laval
nozzle. Cluster configurations in super-cooled and
near-equilibrium states
%A Shinobu Tanimura, Yoshiki Okada, and Kazuo Takeuchi
%T Aligning symmetric and asymmetric top molecules
via single photon excitation
%A Miles J.Weida and Charles S.Parmenter
%T Resonant Raman scattering in O{_2}
%A I.Simbotin, M.Marinescu, H.R.Sadeghpour, and A.Dalgarno
%T Understanding the activation energy trends for the
C{_2}H{_4} + OH --> C{_2}H{_4}OH reaction by using canonical
variational transition state theory
%A Jordi Villa, Angels Gonzalez-Lafont, Jose M.Lluch, Jose C.Corchado,
and Joaquin Espinosa-Garcia
%T Adsorption and reactions of NO on NiAl(111) at 75 K
%A G.Schmitz, F.Bartolucci, P.Gassmann, J.Masuch, and R.Franchy
%T An embedding approach for the calculation of STM images.
Method development and application to galena (PbS)
%A Udo Becker, Steve P.Greatbanks, Kevin M.Rosso, Ian H.Hillier,
and David J.Vaughan
%T Theoretical interpretation of the electroabsorption spectra of
polyacene crystals. I. Role of Frenkel states
%A Michal Slawik and Piotr Petelenz
%T The reaction volume Hamiltonian model. Further
developement and application
%A A.Koch and G.D.Billing
%T Hydrogen chemisorption and thermal desorption on diamond C(111)
surface
%A C.Su, K.-J.Song, Y.-L.Wang, H.-L.Lu, T.J.Chuang, and J.-C.Lin
%T The ammonia dimer spectrum in cold helium clusters
%A Michael Behrens, Udo Buck, Ralf Frochtenicht, Matthias Hartmann,
and Martina Havenith
%T Translational and rotational motion in molecular liquids.
A computer simulation study of Lennard-Jones ellipsoids
%A S.Ravichandran, A.Perera, M.Moreau, and B.Bagchi
%T Comparison of aggregation of rod-like and spherical particles.
A fractal analysis
%A Attila Vincze, Rita Fata, Miklos Zrinyi, Zoltan Horvolgyi,
and Janos Kertesz
%T Constrained free energy functional of deformed polymer systems
%A Tao Sun, Anna C.Balazs, and David Jasnow
%T Computer simulation studies of anisotropic systems XXVII. The
direct pair correlation function of the Gay-Berne discotic nematic
and estimates of its elastic constants
%A J.Stelzer, M.A.Bates, L.Longa, and G.R.Luckhurst
%T A modified bubble model for positronium atoms in liquids
%A Tapas Mukherjee, Bichitra Nandi Ganguly, and Binayak Dutta-Roy
%T On the conformation of non-adsorbing polymers in colloidal
suspensions
%A Peter Haronska and Thomas A.Vilgis
%T A quasi-oscillatory collisional model for 2-dimensional soft disk
fluids
%A Massimo G.Noro, Daniel Kivelson, and Gilles Tarjus
%T The potential distribution-based closures to the integral equations
for liquid structure. The Lennard-Jones fluid
%A Lloyd L.Lee
%T Pure translation instantaneous normal modes. Imaginary frequency
contributions vanish at the glass transition in CS{_2}
%A Wuxiong Li and T.Keyes
%T Dynamics of unbinding of polymers in a random medium
%A Somendra M.Bhattacharjee and A.Baumgartner
%T A stochastic cage model for linear solutes
%A Giorgio J.Moro and A.Polimeno
%T Analysis of the optical spectra of aromatic/alkane clusters
%A Ernst-Udo Wallenborn, Ross Brown, and Urs.P.Wild
%T Biaxial phases in polydisperse mean-field
model solution of uniaxial micelles
%A Eduardo F.Henriques and Vera B.Henriques
%T Conceptual and technical improvement of the reverse
reverse Monte Carlo algorithm
%A Gergely Toth and Andras Baranyai
%T Surface viscoelastic relaxation on aqueous solutions of
tetrahydrofuran
%A D.Sharpe and J.C.Earnshaw
%T Thermodynamic variables in the context of a
nonequilibrium statistical ensemble approach
%A Roberto Luzzi, Aurea R.Vasconcellos, David Jou,
and Jose Casas-Vazquez
%T Computer simulations of asymmetric block copolymers
%A Alexander Hoffmann, Jens-Uwe Sommer, and Alexander Blumen
%T The coil-globule transition of polymers of long
rigid monomers connected by flexible spacers
%A Richard P.Sear
%T Self-consistent determination of the bridge function
for simple fluids with the Lennard-Jones potential
%A J.M.Bomont, N.Jakse, and J.L.Bretonnet
%T Shear induced dimerization
%A G.T.Evans
%T Structural changes during stress relaxation in simple liquids
%A R.C.Picu and J.H.Weiner
%T Equation of state of supercooled water simulated using the
extended simple point charge intermolecular potential
%A Stephen Harrington, Peter H.Poole, Francesco Sciortino,
and H.Eugene Stanley