Journal of Chemical Physics
8 Jan 1998, V108, N2.
%T The electronic spectra of jet-cooled HGeCl and HGeBr
%A Warren W.Harper and Dennis J.Clouthier
%T Embedded cluster model for chemisorption using density functional
calculations. Oxygen adsorption on the Al(100) surface
%A Helio A.Duarte and Dennis R.Salahub
%T Collisional energy transfer in
H{_2}({nu}{_ab},j{_ab}) + H{_2}({nu}{_cd,}j{_cd})
%A M.E.Mandy, P.G.Martin, and W.J.Keogh
%T A purely ab initio spectroscopic quality quartic
force field for acetylene
%A Jan M.L.Martin, Timothy J.Lee, and Peter R.Taylor
%T Ionization energy and electron affinity of small
alkali-metal clusters
%A Kazimierz F.Wojciechowski
%T Semiclassical molecular dynamics simulations of ultrafast
photodissociation dynamics associated
with the Chappuis band of ozone
%A Victor S.Batista and William H.Miller
%T A semi-empirical potential for simulations of
transition metal clusters. Minima and isomers
of Ni{_n} (n=2-13) and their hydrides
%A E.Curotto, Alexander Matro, David L.Freeman, and J.D.Doll
%T An assessment of theoretical procedures for the calculation of
reliable free radical thermochemistry. A recommended new procedure
%A Paul M.Mayer, Christopher J.Parkinson, David M.Smith, and Leo Radom
%T The A{^~2}{SIGMA}{^+} state of Ar{^.}NO studied using
resonance-enhanced multiphoton and zero-kinetic-energy pulsed-field
ionization spectroscopy
%A Andrew M.Bush, John M.Dyke, Paul Mack, David M.Smith,
Timothy G.Wright
%T Anomalous autoionization lifetimes of Rydberg states
in a circularly polarized microwave field
%A Paolo Bellomo, David Farrelly, and T.Uzer
%T Temperature effect up to 1100K on the Xe{_2} excimer
luminescence using two-photon excitation
%A C.Jonin, P.Laporte, and R.Saoudi
%T Ro-vibrational energy surfaces of triatomic water-like molecules
%A Jan Makarewicz
%T Spectator modes in resonance-driven reactions.
Three-dimensional quantum calculations of HOCO resonances
%A Fedor N.Dzegilenko and Joel M.Bowman
%T Fitting potential energy surfaces: A search in the
function space by directed genetic programming
%A Dmitrii E.Makarov and Horia Metiu
%T Near threshold photodissociation of acetylene
%A David H.Mordaunt, Michael N.R.Ashfold, Richard N.Dixon,
Peter Loffler, Ludger Schnieder, and Karl H.Welge
%T Confocal micro-Raman spectroscopy of black soap films
%A B.Lecourt, F.Capelle, F.Adamietz, A.Malaplate,
D.Blaudez, H.Kellay, and J.M.Turlet
%T Rotational analysis and assignment of the 630 nm
band system of FeH to the e{^6}{PI} - c{^6}{SIGMA}{^+} transition
%A Daniel F.Hullah, Damian M.Goodridge, and John M.Brown
%T Inversion of absorption spectral data for relaxation matrix
determination. I. Application to line-mixing in the
106 <-- 000 overtone transition of HCN
%A Robert Boyd, Tak-San Ho, Herschel Rabitz, Daniele Romanini,
and Kevin Lehmann
%T The ultrafast photochemical ring-opening reaction
of 1,3-cyclohexadiene in cyclohexane
%A Stuart H.Pullen, Neil A.Anderson, Larry A.Walker, II,
and Roseanne J.Sension
%T The multi-electron, hidden-crossings method for inelastic processes
in slow ion/atom-atom collisions
%A G.Bent, P.S.Krstic, and D.R.Schultz
%T Vibrational energy transfer between the isotopomers
of carbon monoxide at low temperatures
%A M.L.Turnidge, J.P.Reid, P.W.Barnes, and C.J.S.M.Simpson
%T Diagrammatic complete active space perturbation theory
%A James P.Finley
%T The hydrogen atom abstraction reaction
CO{^+} + H{_2} --> HCO{^+} + H. Translational and internal energy
dependence of the integral cross section
%A W.J.Knott, D.Proch, and K.L.Kompa
%T Molecular potential energy surfaces by
interpolation in Cartesian coordinates
%A Keiran C.Thompson, Meredith J.T.Jordan, and Michael A.Collins
%T Intramolecular hydrogen bonding and excited state proton transfer
in hydrosyanthraquinones as studied by electronic spectra,
resonance Raman scattering, and transform analysis
%A Mario P.Marzocchi, Anna R.Mantini, Maurizio Casu,
and Giulietta Smulevich
%T The infrared spectrum and structure of the nitrous oxide trimer
%A R.E.Miller and L.Pedersen
%T A tensor formulation of many electron theory
in a nonorthogonal single particle basis
%A Martin Head-Gordon, Paul F.Maslen, and Christopher A.White
%T Penning ionization of the CO{_2} molecule by Ne*
(3 {^3}P{_2,0}) metastable atom
%A B.Lescop, M.Ben Arfa, M.Cherid, G.LeCoz,
G.Sinou, G.Fanjoux, A.Le Nadan, and F.Tuffin
%T Electronic properties of Cs + CO coadsorbed on the Ru(0001) surface
%A S.Fichtner-Endruschat, V.De Renzi, A.Morgante, S.Schwegmann,
H.Bludau, R.Schuster, A.Bottcher, and H.Over
%T Exchange functionals with improved long range behavior and
adiabatic connection methods without adjustable parameters.
The mPW and mPW1PW models
%A Carlo Adamo and Vincenzo Barone
%T Vibrational predissociation spectroscopy of the
(H{_2}O){_6}{^.}Ar{_n} clusters.
%A Patrick Ayotte, Christopher G.Bailey, Jun Kim, and Mark A.Johnson
%T Post-Hartree-Fock study on FOCl{^+} and FCl0{^+}
%A Joseph S.Francisco
%T Comment on: Selection rules for the photoionization of
diatomic molecules
[J.Chem.Phys.93, 3033 (1990)]
%A James K.G.Watson
%T Symmetry-adapted perturbation theory of nonadditive
three-body interactions in van der Waals molecules.
II. Application to the Ar{_2}-HF interaction
%A Robert Moszynski, Paul E.S.Wormer, Tino G.A.Heijmen,
and Ad van der Avoird
%T Ab initio molecular orbital studies on the structure, energies and
photodissociation of the electronic excited states of C{_2}H
%A Qiang Cui and Keiji Morokuma
%T The Cotton-Mouton effect of liquid water. Part II.
The semi-continuum model
%A Kenneth Ruud, Hans Agren, Pal Dahle, Trygve Helgaker,
Antonio Rizzo, Sonia Coriani, Henrik Koch,
Kristian O.Sylvester-Hvid, and Kurt V.Mikkelsen
%T Light and neutron scattering studies of the OH
stretching band in liquid and supercritical water
%A M.A.Ricci, M.Nardone, A.Fontana, Roma C.Andreani, and W.Hahn
%T Transfer of chloroform across the water-carbon
tetrachloride liquid-liquid interface
%A Tsun-Mei Chang and Liem X.Dang
%T Induced orientational order in liquid layers
%A A.ten Bosch
%T Reduced multireference couple cluster method (RMR-CCSD.
II. Application to potential energy surfaces of HF, F{_2}
and H{_2}O
%A Xiangzhu Li and Josef Paldus
%T Gyroid versus double-diamond in ABC triblock copolymer melts
%A M.W.Matsen
%T A new theoretical approach for electrical properties of TiX{_2}
(X = S, Se, Te) phases with density functional calculations
%A M.-L.Doublet, N.Gallego-Planas, P.H.T. Philipsen, R.Brec,
and S.Jobic
%T Molecular motion and solvation of benzene in water,
carbon tetrachloride, carbon disulfide and benzene.
A combined MD simulation and NMR study
%A Aatto Laaksonen, Peter Stilbs, and Roderick E.Wasylishen
%T Folding and misfolding of designed protein-like
chains with mutations
%A G.Tiana, R.A.Broglia, H.E.Roman, E.Vigezzi, and E.Shakhnovich
%T Energy transfer processes in organized media.
III. A two-center model for nonhomogeneous crystals
%A Sergio O.Vasquez
%T A molecular-thermodynamic model for polyelectrolyte solutions
%A Jianwen Jiang, Honglai Liu, and Ying Hu
%T Perfect families of mixed crystals: The rotator I N-alkane case
%A H.A.J.Oonk, D.Mondieig, Y.Haget, and M.A.Cuevas-Diarte
%T Chain relations of reduced distribution functions
and their associated correlation functions
%A Saman Alavi, G.W.Wei, and R.F.Snider