Journal of Chemical Physics
01 Aug 1997, V107, N5.
%T Interpretation of helium atom scattering from isolated CO molecules
on copper (001) bsed on an exact quantum mechanical model
%A B.H.Choi, K.T.Tang, and J.P.Toennies
%T High resolution absorption spectrum of jet-cooled CS{_2}
between 65000 and 71000 cm{^-1}. Assignment of
bent...5{sigma}{_u}}{pi}{_u} and
linear...2{pi}{^3}{_g} 3d and 5s gerade states
%A Claudina Cossart-Magos, Helene Lefebvre-Brion,
Martin Jungen, and Francoise Launay
%T An embedded cluster study of dimer buckling on the Si(100) surface
%A Cheng Yang, S.Y.Lee, and H.Chuan Kang
%T Correlation potentials and functionals in Hartree-Fock-Kohn-Sham
theory
%A Garnet K-L.Chan, David J.Tozer, and Nicholas C.Handy
%T Gas phase ion chemistry and ab initio theoretical study of
phosphine. Part I.
%A Paola Antoniotti, Lorenza Operti, Roberto Rabezzana,
Maurizio Splendore, Glauco Tonachini, and Gian Angelo Vaglio
%T Mode-specific energy analysis for rotating-vibrating
triatomic molecules in classical trajectory simulation
%A Young Min Rhee and Myung Soo Kim
%T Theory of double quantum two dimensional electron
spin resonance with application to distance measurements
%A Sunil Saxena and Jack H.Freed
%T A 3-dimensional quantum mechanical study of the
H+H{_2}{^+} --> H{_2}+H{^+} system. Competition between
chemical exchange and inelastic processes
%A Isidore Last, Miquel Gilibert, and Michael Baer
%T Some properties of the lower electronic states for
nonlinear He{_3}{^+} clusters
%A F.A.Gianturco, M.P.de Lara-Castells, and F.Schneider
%T Erratum: Determination of the structure of HBr DBr
[J Chem.Phys. 106, 6240 (1997)]
%A Wei Chen, A.R.Hight Walker, Stewart E.Novick, and Fu-Ming Tao
%T A quantum molecular similarity analysis of changes
in molecular electron density caused by basis set
flotation and electric field application
%A Silvia Simon and Miquel Duran
%T Isotope and temperature effects on the {^13}C and {^77}Se
nuclear shielding in carbon diselenide
%A Juhani Lounila, Juha Vaara, Yrjo Hiltunen, Anja Pulkkinen,
Jukka Jokisaari, Mika Ala-Korpela, and Kenneth Ruud
%T A simple physical picture for quantum control of
wave packet localization
%A Jianshu Cao and Kent R.Wilson
%T Nonlinear effects in dipole solvation. I. Thermodynamics
%A Dmitry V.Matyushov and Branka M.Ladanyi
%T Nonlinear effects in dipole solvation. II. Optical spectra and
electron transfer activation
%A Dmitry V.Matyushov and Branka M.Ladanyi
%T Photodissociation of HCl at 193.3 nm. Spin-orbit branching ratio
%A J.Zhang, M.Dulligan, and C.Wittig
%T Six-dimensional quantum dynamics of dissociative
chemisorption of H{_2} on Cu(100)
%A G.J.Kroes, E.J.Baerends, and R.C.Mowrey
%T Memory kernels and effective Hamiltonians from time-dependent
methods. I. Predissociation with a curve crossing
%A M.Desouter-Lecomte and J.Lievin
%T Fourier transform spectrum of the in-plane CH{_3}-rocking
fundamental and vibrational coupling in C-13 methanol
%A Adriana Predoi, R.M.Lees, and J.W.C.Johns
%T Microwave spectroscopic detection of HCCP in the
X{^3}{SIGMA}{^-} electronic state. Phospho-carbene,
phospho-allene or phosphorene?
%A Imtiaz K.Ahmad, Hiroyuki Ozeki, and Shuji Saito
%T A systematic and feasible method for computing
nuclear contributions to electrical properties
of polyatomic molecules
%A Josep M.Luis, Miquel Duran, and Jose L.Andres
%T Impurity rotations in quantum versus classical
solids. O{_2} in solid hydrogens
%A Z.Li and V.A.Apkarian
%T Control of vector properties in vibrationally
mediated photodissociation near asymmetric resonances
%A Sungyul Lee
%T Electronic spectroscopy of R{^.}SH (R = Ne, Ar,Kr) complexes
%A Min-Chieh Yang, Christopher C.Carter, and Terry A.Miller
%T High resolution electronic spectroscopy of the
R{^.}SH complexes (R = Ne, Ar, Kr)
%A Christopher C.Carter and Terry A.Miller
%T Empirical potential energy surface for Ar{^.}SH/D and Kr{^.}SH/D
%A Prakashan P.Korambath, Xudong T.Wu, Edward F.Hayes,
Christopher C.Carter, and Terry A.Miller
%T Prediction of bond dissociation energies and transition state
barriers by a modified complete basis set model chemistry
%A Tim P.W.Jungkamp and John H.Seinfeld
%T From the sparse to the statistical limit of intra-
molecular vibrational redistribution in vibrational
predissociation. ArCl{_2} as an example
%A Octavio Roncero, David Caloto, Kenneth C.Janda,
and Nadine Halberstadt
%T Theoretical study of van der Waals complexes of Al atom with N{_2}
%A Galina Chaban and Mark S.Gordon
%T Numerical study of the phase behavior of rodlike
colloids with attractive interactions
%A Peter G.Bolhuis, Alain Stroobants, Daan Frenkel,
and Henk N.W.Lekkerkerker
%T Polarized light scattering from sickle hemoglobin polymers
%A Daniel B.Kim-Shapiro and Patricia G.Hall
%T A grand canonical simulation technique for dense and
confined fluids, with application to a Lennard-Jones fluid
%A Phil Attard
%T A Monte Carlo finite size scaling study of
charged hard sphere criticality
%A J.M.Caillol, D.Levesque, and J.J.Weis
%
T Condensation of supersaturated vapors on monovalent and divalent
ions of varying size
%A Takafumi Seto, Kikuo Okuyama, L.de Juan, and J.Fernandez de la Mora
%T P-T diagrams of system of CH{_3}(CH{_2}){_n-1}
self-assembled on Au(111) crystal surface
%A Almas F.Sadreev and Yurii V.Sukhinin
%T Modeling and structure of mercury-water interfaces
%A J.C.Shelley, G.N.Patey, D.R.Berard, and G.M.Torrie
%T Elongational viscosities from non-equilibrium molecular
dynamics simulations of oscillatory elongational flow
%A B.D.Todd and Peter J.Daivis
%T Crossover of domain-growth behavior from percolation to cluster
regime in phase separation of an off-critical polymer mixture
%A Hiroyuki Takeno and Takeji Hashimoto
%T Adiabatic phase transformations in confinement
%A Alexander Umantsev
%T Mean field theory of interpenetrating polymer network gels
%A Michael Schulz and Harry L.Frisch
%T The short-time intramolecular dynamics of solutes in liquids.
II.Vibrational population relaxation
%A Grant Goodyear and Richard M.Stratt