Journal of Chemical Physics
22 Nov 1997, V107, N20.
%T Diffusion quantum Monte Carlo calculation of
nondifferential properties for atomic ground states
%A Peter Langfelder, Stuart M.Rothstein, and Jan Vrbik
%T Potential energy surfaces and branching ratio of the
dissociative recombination reaction HCNH{^+} + e{^-}.
An ab initio molecular orbital study
%A Yoko Shiba, Tsuneo Hirano, Umpei Nagashima, and Keisaku Ishii
%T Hindered rotation in ion-neutral molecular complexes. The
{nu}{_1} vibration of H{_2}-HCO{^+} and D{_2}-DCO{^+}
%A Rouslan V.Olkhov, Sergey A.Nizkorodov, and Otto Dopfer
%T Caged spin-orbit excited I*({^2}P{_1/2})+I*({^2}P{_1/2})
atom pairs in liquids and in cryogenic matrices.
Spectroscopy and dipolar quenching
%A A.V.Benderskii, R.Zadoyan, and V.A.Apkarian
%T Predissociation dynamics of I{_2}(B) in liquid CCl{_4} observed
through femtosecond pump-probe measurements. Electronic caging
through solvent symmetry
%A R.Zadoyan, M.Sterling, M.Ovchinnikov, and V.A.Apkarian
%T Semiclassical approximations to golden rule rate constants
%A J.L.Skinner
%T Ultrafast OH production in clusters containing N{_2} and HI
%A P.I.Ionov, S.I.Ionov, and C.Wittig
%T Resonant effects in photoionization of H{_2} and D{_2}
%A I.Sanchez and F.Martin
%T Energetics of adsorption and coadsorption of CN and O on Ni(100)
%A Hong Yang and Jerry L.Whitten
%T Interelectronic moments of atoms in position and momentum spaces
%A Toshikatsu Koga and Hisashi Matsuyama
%T Paramagnetism of caesium titanium alum and the Jahn-Teller
interaction
%A Philip L.W.Tregenna-Piggoptt, Mary C.M.O'Brien, John R.Pilbrow,
Hans U.Gudel, Stephen P.Best, and Christ Noble
%T Theory of desorption induced by electronic transitions.
II. The strong interaction regime
%A Tamar Seideman and Hua Guo
%T The role of local density in the collisional deactivation of
vibrationally highly excited azulene in supercritical fluids
%A D.Schwarzer, J.Troe, and M.Zerezke
%T Initial state resolved electronic spectroscopy of HNCO. Stimulated
Raman preparation of initial states and laser induced fluorescence
detection of photofragments
%A Steven S.Brown, H.Laine Berghout, and F.Fleming Crim
%T The rotational spectrum and molecular properties of bromine
dioxide, OBrO
%A Holger S.P.Muller, Charles E.Miller, and Edward A.Cohen
%T A grid representation for spherical angles.
Decoupling of the angular momentum operator
%A Jiqiong Dai and John C.Light
%T A storage ring for polar molecules
%A Daniel P.Katz
%T The mechanism of formation and IR-induced decomposition of HXeI
in solid Xe
%A Mika Pettersson, Janne Nieminen, Leonid Khriachtchev,
and Markku Rasanen
%T Extended cross-correlation. A technique for
spectroscopic pattern recognition
%A Matthew P.Jacobson, Stephen L.Coy, and Robert W.Field
%T Identifying patterns in multi-component signals
by extended cross-correlation
%A Stephen L.Coy, Matthew P.Jacobson, and Robert W.Field
%T Isomerization dynamics and ergodicity in Ar{_7}
%A Mark A.Miller and David J.Wales
%T Calculation, with the inclusion of vibrational corrections, of the
dc-electric-field-induced second-harmonic-generation
hyperpolarizability of methane
%A David M.Bishop and Stephan P.A.Sauer
%T Dissociative electron attachment in nanoscale ice films:
Temperature and morphology effects
%A W.C.Simpson, M.T.Sieger, T.M.Orlando,
L.Parenteau, K.Nagesha, and L.Sanche
%T Electronic structure of titanium oxide clusters.
TiO{_y} (y=1-3) and (TiO{_2}){_n} (n=1-4)
%A Hongbin Wu and Lai-Sheng Wang
%T Intramolecular energy transfer in highly vibrationally
excited methanol. I. Ultrafast dynamics
%A O.V.Boyarkin, L.Lubich, R.D.F.Settle, D.S.Perry, and T.R.Rizzo
%T A re-analysis of the k{^3}{PI} state of CO
%A Giel Berden, Rienk T.Jongma, Dorien van der Zande,
and Gerard Meijer
%T Collisions of rare gas ions with C{_60}. Endohedral
formation, energy transfer, and scattering dynamics
%A Yousel Basir and Scott L.Anderson
%T Is the direct observation of electronic coherence
in electron transfer reactions possible?
%A Andreas Lucke, C.H.Mak, Reinhold Egger,
Joachim Ankerhold, Juergen Stockburger, and Hermann Grabert
%T Evidence for the {^2}B{_1}-{^2}A{_1} electronic transition in
chlorine dioxide from resonance Raman depolarization ratios
%A Philip J.Reid, Anthony P.Esposito, Catherine E.Foster,
and Robert A.Beckman
%T The vibrational energy levels in acetylene. III. {^12}C{_2}D{_2}
%A M.Herman, M.I.El Idrisii, A.Pisarchik, A.Campargue, A.-C.Gallot,
L.Biennier, G.Di Lonardo, and L.Fusina
%T Neutral and cation spectroscopy of fluorene-Ar{_n} clusters
%A Xu Zhang, Jonathan D.Pitts, Ravindrakumar Nadarajah, and J.L.Knee
%T The validity of the hard sphere model in hydrogen bonded
intermolecular interactions of HCN--HF
%A A.McIntosh, A.M.Gallegos, R.R.Lucchese, and J.W.Bevan
%T C-Cl and C-H bond cleavage in 193 nm photodissociation
of CH{_3}CF{_2}Cl and CH{_3}CFCl{_2}
%A A.Melchior, I.Bar, and S.Rosenwaks
%T Density-functional thermochemistry. V. Systematic
optimization of exchange-correlation functionals
%A Axel D.Becke
%T On the second electronic state near the S{_1} state in
dimethyldiazirine
%A Taek-Soo Kim, Sang Kyu Kim, Young S.Choi, and Ilhwan Kwak
%T Dissociative resonance activation of cyclopropane
monolayers on copper. Evidence for CH and CC bond scission
%A Richard Martel and Peter McBreen
%T An experimental investigation of the nf Rydberg states
of carbon disulfide
%A J.-P.Berger, S.Couris, and D.Gauyacq
%T Spectra of rare gas hydrides. VI. The 4f complex
and the electronic structure of KrD
%A I.Dabrowski and D.A.Sadovskii
%T Helium pressure broadening of ammonia inversion
transitions from 10 to 35 K
%A Daniel R.Willey, Robert E.Timlin, Jr., Patrick G.DeNardo,
Paul L.Null, Peter L.Pondillo, and Teresa Tyszka
%T Micron-gap rheo-optics with parallel plates
%A Ali Dhinojwala and Steve Granick
%T Fluctuation of the pair-correlation function
%A Andras Baranyai and Gergely Toth
%T Surface free energy of electrolytes near curved interfaces
%A Jan Groenewold
%T Molecular dynamics simulations of flexible liquid crystal
molecules using a Gay-Berne/Lennard-Jones model
%A Mark R.Wilson
%T A deuterium NMR investigation of the symmetry and orientational
order of the nematic phase
of 4-[3,4,5-tris(4-dodecyloxybenzyloxy)benzoy-
loxy]-4'-(4-dodecyloxybenzoyloxy)-1,1'-biphenyl.
%A J.R.Hughes, G.Kothe, G.R.Luckhurst, J.Malthete, M.E.Neubert,
I.Shenouda, B.A.Timimi, and M.Tittelbach
%T Thermodynamically driven incompressible fluid mixtures
%A Felix Otto and Weinan E
%T Effects of chemical impurities on the adsorption
of polymer chains from a semidilute solution
%A Richard Zajac and Amitabha Chakrabarti
%T Hydrogen-bond structure in an aqueous solution of sodium chloride
at sub- and supercritical contitions
%A P.H.K.de Jong and G.W.Neilson
%T Decoherent histories and non-adiabatic quantum
molecular dynamics simulations
%A Eric R.Bittner and Peter J.Rossky
%T Molecular dynamics simulation of the liquid-vapor interface.
The Lennard-Jones fluid
%A Matthias Mecke, Jochen Winkelmann, and Johann Fischer
%T The dynamics of proton transfer in H{_5}O{_2}{^+}
%A Hai-Ping Cheng and Jeffrey L.Krause
%T Structural study of supercritical water. I. NMR spectroscopy
%A Nobuyuki Matubayasi, Chihiro Wakai, and Masaru Nakahara
%T Characterization of an F-centre in an alkali halide cluster
%A R.F.W.Bader and J.A.Platts
%T Resolving the structural relaxation of a two dimensional
liquid using apertured cross correlation functions
%A M.M.Hurley and Peter Harrowell