Journal of Chemical Physics
1997, V106, N15, 15 Apr
%T Geometry optimisation of a water molecule in water. A combined
quantum chemical and statistical mechanical treatment
%A Nigel W.Moriarty and Gunnar Karlstrom
%T Transient nutation electron spin resonance spectroscopy
on spin-correlated radical pairs. A theoretical
analysis on hyperfine-induced nuclear modulations
%A Stefan Weber, Gerd Kothe, and James R.Norris
%T Transition probabilities in OH A{^2}{SIGMA}{^+} - X{^2}{PI}{_i}.
Bands with V' = 2 and 3
%A Kristen L.Steffens, Jorge Luque, Jay B.Jeffries, and David R.Crosley
%T Semiclassical initial value representation for
electronically non-adiabatic molecular dynamics
%A Xiong Sun and William H.Miller
%T Computational study of many-dimensional quantum vibrational
energy redistribution. II. Statistics of the spectrum, with
dynamical implications
%A Sarah A.Schofield and Robert E.Wyatt
%T The state-to-state photodissociation dynamics of HOD(A{^~})
%A M.Brouard and S.R.Langford
%T Determination of the structure of HBr DBr
%A Wei Chen, A.R.Hight Walker, Stewart E.Novick, and Fu-Ming Tao
%T The low-lying electronic states of CrF and CrCl.
Analysis of the A{^6}{SIGMA}{^+} --> X{^6}{SIGMA}{^+} system of CrCl
%A M.Bencheikh, R.Koivisto, O.Launila, and J.P.Flament
%T Wave selection and lateral instabilities in mixed autocatalytic systems
%A R.A.Milton and S.K.Scott
%T Angle-energy distributions of Penning ions in crossed
molecular beams. III. Angle-energy coupling in
He*(2{^1}S, 2{^3}S) + Ar --> He + Ar{^+} + e{^-}
%A E.J.Longley and P.E.Siska
%T Photoabsorption and ionization energies of non-
stoichiometric CsI clusters. Metallization of a salt
%A S.Frank, N.Malinowski, F.Tast, M.Heinebrodt, I.M.L.Billas, and
T.P.Martin
%T The prediction of molecular equilibrium structures
by the standard electronic wave functions
%A Trygve Helgaker, Jurgen Gauss, Poul Jorgensen, and Jeppe Olsen
%T Non-additive intermolecular forces from the spectroscopy
of Van der Waals trimers. A comparison of Ar{_2}-HF and
Ar{_2}-HCl, including H/D isotope effects
%A Andreas Ernesti and Jeremy M.Hutson
%T Fourier transform infrared observation of the vibrational
spectrum of the linear SiCCH radical in Ar at 10 K
%A Dongsheng Han, C.M.L.Rittby, and W.R.M.Graham
%T Doppler-free spectroscopy of KLi
%A V.Bednarska, A.Ekers, P.Kowalczyk, and W.Jastrzebski
%T Two phases of acetylene adsorbed on NaCl(001) studies
by high resolution helium atom scattering
%A A.Glebov, R.E.Miller, and J.P.Toennies
%T Quantum Monte Carlo binding energies for silicon hydrides
%A C.W.Greeff and W.A.Lester, Jr.
%T Experimental observations of high-energy electron degradation in argon
%A Manuela M.Burgers and Ronald Cooper
%T Picosecond dynamics of an IR sensitive squaraine dye. Role of singlet and
triplet excited states in the photosensitization of TiO{_2} nanoclusters
%A Di Liu, Prashant V.Kamat, K.George Thomas,
K.J.Thomas, Suresh Das, and M.V.George
%T Laser induced fluorescence of the CH{_2}CFO radical
%A Masashi Furubayashi, Isabelle Bridier,
Satoshi Inomata, Nobuaki Washida, and Koichi Yamashita
%T Rotor-vibrator couplings in partially deuterated toluenes
%A Willem Siebrand, Marek Z.Zgierski, Francesco Zerbetto, Tapas Chakraborty,
William G.Kofron, Edward C.Lim, Marek J.Wojcik, and Marek Boczar
%T Photoionization spectroscopy of ionic metal dimers: LiCu and LiAg
%A L.R.Brock, A.M.Knight, J.E.Reddic, J.S.Pilgrim, and M.A.Duncan
%T Incorporation of angular momentum anisotropy into
the analysis of resonant four-wave mixing spectroscopy
%A Thierry A.W.Wasserman, Patrick H.Vaccaro, and Bruce R.Johnson
%T Anharmonic force fields and spectroscopic properties
BF{_3} and CF{_3}{^+} using the coupled cluster method
%A Youngshang Pak and R.Claude Woods
%T Electronic structure of poly-oxadiazoles
%A G.Brocks and A.Tol
%T Rayleigh-Schrodinger perturbation theory for
coupled oscillators. III. Curve-crossing problems
%A Vladimir Spirko and Jiri Cizek
%T Direct perturbation theory of relativistic effects for explicitly
correlated wave functions. The He isoelectronic series
%A Edgar Ottschofski and Werner Kutzelnigg
%T Normal mode analysis for a comparative study of relaxation
processes of charge transfer and photoexcitation in C{_60}
%A G.P.Zhang, X.Sun, Thomas F.George, and Lakshmi N.Pandey
%T Photofragment excitation spectrum for O({^1}D) from the
photodissociation of jet-cooled ozone in the wavelength range 305-329 nm
%A Kenshi Takahashi, Masahiro Kishigami, Nori Taniguchi, Yutaka Matsumi, and
Masahiro Kawasaki
%T Refinement of the HeH{_2} potential surface through
inversion of nuclear spin relaxation data
%A A.A.Lazarides and H.Rabitz
%T The liquid crystalline phase behaviour of dimerising hard spherocylinders
%A Simon C.McGrother, Richard P.Sear, and George Jackson
%T First principles implementation of solvent
effects without outlying charge error
%A Kim Baldridge and Andreas Klamt
%T A small-angle neutron scattering study of non-ionic surfactant
molecules at the water-oil interface.Area per molecule, microemulsion
domain size and rigidity
%A T.Sottmann, R.Strey, and H.-S.Chen
%T Effects of finite grain size on adsorption
in two-dimensional microporous media. Pillared clays
%A T.F.Nagy and S.D.Mahanti
%T Solubility limits of silicate melts
%A L.Rene Corrales and Keith D.Keefer
%T Phase coexistence in clusters. An "experimental"
isobar and an elementary model
%A Benjamin Vekhter and R.Stephen Berry
%T The longer time collapse kinetics of
interfacial poly(N-isopropylacrylamide in water
%A Peng Wei Zhu and Donald H.Napper