Journal of Chemical Physics 15 Nov 1997, V107, N19.


%T  Further partitioning of the reactant-product decoupling equations
    of state-to-state reactive scattering and their solution by the
    time-independent wavepacket method
%A  Stuart C.Althorpe, Donald J.Kouri, and David K.Hoffman

%T  Energies and derivative couplings in the vicinity of a conical
    intersection. II. CH{_2}(2{^3}A", 3{^3}A") and H{_2}S(1{^1}A",
    2{^1}A"), unexpected results in an ostensibly standard case
%A  Nikita Matsunaga and David R.Yarkony

%T  Low-energy electron attachment to brominated methanes
%A  Takeyoshi Sunagawa and Hiroshi Shimamori

%T  The effect of angular momentum on the unimolecular
    dissociation HCO --> H + CO
%A  Chao-Yie Yang and Stephen K.Gray

%T  Predissociation dynamics of the A{^2}{SIGMA}{^+} state of SH and SD
%A  Martyn D.Wheeler, Andrew J.Orr-Ewing, and Michael N.R.Ashfold

%T  Infrared induced isomerization efficiency for CH{_2}D-CH{_2}D
    isolated in rare gas matrices. Influence of the vibraitonal
    excitation and of the medium
%A  P.Roubin, S.Varin, P.Verlaque, and S.Coussan

%T  Spontaneous emission and absorption in model
    aggregates of {pi}-conjugated oligomers
%A  Michael J.McIntire, Eric S.Manas, and Frank C.Spano

%T  Semiclassical theory of multi-channel curve crossing problems.
    Nonadiabatic tunneling case
%A  Chaoyuan Zhu and Hiroki Nakamura

%T  The reaction rate constant in a system with localized trajectories
    in the transition region. Classical and quantum dynamics
%A  Dimitry Makarov and Horia Metiu

%T  The F state of the Aluminum dimer
%A  John M.Dyke and Timothy G.Wright

%T  Erratum: Ligand and metal binding energies in platinum carbonyl
    cluster anions. Collision-induced dissociation of Pt{_m}{^-} and
    Pt{_m}(CO){_n}{^-}
    [J.Chem.Phys.106, 9580 (1997)]
%A  Alexander Grushow and Kent M.Ervin

%T  Theory of rotational energy levels of open-shell
    complexes containing the O{_2} molecule
%A  Hai-Bo Qian, Sarah J.Low, Dominic Seccombe, and Brian J.Howard

%T  Spectroscopy and structure of the open-shell complex O{_2}-N{_2}O
%A  Hai-Bo Qian, Dominic Seccombe, and Brian J.Howard

%T  WKB wavefunctions for a non separable Hamiltonian
%A  M.Fusco Girard

%T  Microscopic calculation of the third-order NLO
    susceptibility of DEANST crystal
%A  M.Malagoli and R.W.Munn

%T  Reaction-diffusion patterns on a disk or a square
    in a model with long range interaction
%A  Moshe Sheintuch and Olga Nekhamkin

%T  Ab initio diffusional potential energy surface for CO chemisorption
    on Pd{110} at high coverage. Coupled translation and rotation
%A  P.Hu, D.A.King, S.Crampin, M.-H.Lee, and M.C.Payne

%T  Short-range effects in resonant electron-molecule scattering from
    van der Waals clusters
%A  R.R.Lucchese and F.A.Gianturco

%T  Earlytime dynamics of trans-azobenzene isomerization in solution
    from resonance Raman intensity analysis
%A  Nandita Biswas and Siva Umapathy

%T  Quantum-chemical study of the vibronic structure of the
    phosphorescence and T{_1} --> T{_n} absorption spectra of
    naphthalene
%A  Marek Z.Zgierski

%T  General theoretical formalism for discribing the high-order effects
    of the dipolar coupling between spin-1/2 and quadrupole nuclei
%A  Shangwu Ding and Charles A.McDowell

%T  Experimental and theoretical angular and translational
    distributions for the reaction CN + D{_2} --> DCN + D
%A  Jeng-Han Wang, Kopin Liu, George C.Schatz, and Marc ter Horst

%T  Erratum: The microwave spectrum and structure of the
    methanol{^.}SO{_2} complex
    [J.Chem.Phys.103, 6440 (1995)]
%A  Linghong Sun, Xue-Qing Tan, Jung Jin Oh, and Robert L.Kuczkowski

%T  Methanol---sulfur dioxide van der Waals complexes.
    A theoretical study
%A  V.M.Rayon and J.A.Sordo

%T  Time-resolved photoelectron angular distributions:
    A nonperturbative theory
%A  Tamar Seideman

%T  Semiclassical quantization of fragmented tori.
    Application to saddle-node states of LiNC/LiCN
%A  A.A.Zembekov, F.Borondo, and R.M.Benito

%T  Characterization of the I{_2}{^-} anion ground state
    using conventional and femtosecond photoelectron spectroscopy
%A  Martin T.Zannik, Travis R.Taylor, B.Jefferys Greenblatt,
    Benoit Soep, and Daniel M.Neumark

%T  Ionization energies of benzo[a]pyrene and benzo[e]pyrene
%A  V.G.Zakrzewski, O.Dolgounitcheva, and J.V.Ortiz

%T  A new spin-restricted triple excitation correction for coupled
    cluster theory
%A  T.Daniel Crawford, Timothy J.Lee, and Henry F.Schaefer III

%T  Two-photon spectroscopy of the low lying Rydberg
    states of NO. I. The 3p and 3d complexes
%A  Henning Meyer

%T  Two-photon spectroscopy of the low lying Rydberg states of NO.
    II. Application to the NO-Ar complex
%A  Henning Meyer

%T  The electron affinities of the perfluorocarbons
    C{_2}F{_n}, n = 1-6
%A  Rollin A.King, Nathan D.Pettigrew, and Henry F.Schaefer III

%T  Assessing the accuracy of the vibrational infinite order sudden
    approximation for He + I{_2} (n=5) -->  He + I{_2} (n'=4,6)
%A  M.J.Fiedler, K.A.McDonald, and G.A.Pfeffer

%T  Reaction site switching in carbon monoxide oxidation on platinum
    (113). A spatial distribution study of desorbing product
%A  Toshiro Yamanaka, Calin Moise, and Tatsuo Matsushima

%T  Describing van der Waals interaction in diatomic
    molecules with generalized gradient approximations.
    The role of the exchange functional
%A  Yingkai Zhang, Wei Pan, and Weitao Yang

%T  Density functional and coupled-cluster study
    on the HNO --> HON transition state
%A  M.E.Alikhani, Christopher E.Dateo, and Timothy J.Lee

%T  Energy transfer in the ground state of OH. Measurements of
    OH({nu} = 8, 10, 11) removal
%A  Mark J.Dyer, Karen Knutsen, and Richard A.Copeland

%T  Structural relaxation dynamics of electronically
    excited XeAr{_N} clusters
%A  Alexander Goldberg and Joshua Jortner

%T  Electronic structure and photoelectron spectroscopy of AlSi mixed
    dimer
%A  Xue-Bin Wang and Lai-Sheng Wang

%T  Quantum molecular dynamics of large systems beyond separable
    approximation. The configuration interaction classical separable
    potential method
%A  Pavel Jungwirth, Erick Fredj, and R.Benny Gerber

%T  Probing the accuracy of pseudopotentials for
    transition metals in quantum Monte Carlo calculations
%A  Heinz-Jurgen Flad and Michael Dolg

%T  Ultrafast study of interfacial electron transfer between
    9-anthracene-carboxylate and TiO{_2} semiconductor particles
%A  Ignacio Martini, Jose Hodak, Gregory V.Hartland,
    and Prashant V.Kamat

%T  Absorption, excitation and emission spectroscopy of terrylene in
    p-terphenyl. Bulk measurements and single molecule studies
%A  S.Kummer, F.Kulzer, R.Kettner, Th.Basche, C.Tietz, C.Glowatz,
    and C.Kryschi

%T  Orientation and tunneling in monolayer methane.
    CHD{_3} physisorbed onto NaCl(100)
%A  Kent A.Davis and George E.Ewing

%T  On the origin of the heavy atom effect in the fine structure
    splitting of the 1{^2}{PI} state of alkali metal {^2}P.
    Rare gas van der Waals molecules
%A  Karl Sohlberg and David R.Yarkony

%T  Rovibrational states of a tetrahedral molecule
    in a hexagonal close packed crystal
%A  Takamasa Momose

%T  Infrared spectroscopic study of rovibrational states
    of methane trapped in parahydrogen crystal
%A  Takamasa Momose, Masaaki Miki, Tomonari Wakabayashi,
    Tadamasa Shida, Man-Chor Chan, Steven S.Lee, and Takeshi Oka

%T  High resolution laser spectroscopy of methane
    clusters trapped in solid parahydrogen
%A  Takamasa Momose, Hiroyuki Katsuki, Hiromichi Hoshina,
    Norihito Sogoshi, Tomonari Wakabayashi, and Tadamasa Shida

%T  Neutron diffraction study of (ND{_4){_2}SeCl{_6}, (ND{_4}){_2}
    PtCl{_6} and (ND{_4){_2}PtBr{_6} crystals. The origin of the
    strong deuterium substitution effect on the phase transitions
%A  Osamu Yamamuro, Kenji Okishiro, Takasuke Matsuo,
    Noriko Onoda-Yamamuro, Kenichi Oikawa, Takashi
    Kamiyama, Yoshio Kume, and Fujio Izumi

%T  Understanding all of water's anomalies with a non-local potential
%A  Chul Hee Cho, Surjit Singh, and G.Wilse Robinson

%T  Light scattering investigations in a ternary liquid
    mixture. Quest for a critical inflection point
%A  B.M.Jaffar Ali and A.Kumar

%T  Ab initio molecular dynamics study of polyfluoride anions
%A  Tycho von Rosenvinge, Michele Parrinello, and Michael L.Klein

%T  Cluster translation and growth in density functional theories of
    homogeneous nucleation
%A  Jonathan Barrett

%T  A stringent test of the cavity concept in continuum dielectrics
%A  Arno Papazyan and Arieh Warshel

%T  Tunneling dynamics of side chains and defects in
    proteins, polymer glasses, and OH-doped network glasses
%A  Andreas Heuer and Peter Neu

%T  Modeling the concentration dependence of diffusion in zeolites.
    I. Analytical theory for benzene in Na-Y
%A  Chandra Saravanan and Scott M.Auerbach

%T  Modeling the concentration dependence of diffusion in zeolites.
    II. Kinetic Monte Carlo simulations of benzene in Na-Y
%A  Chandra Saravanan and Scott M.Auerbach

%T  Paramagnetically-induced NMR relaxation in solutions containing
    S>1 ions. A molecular-frame theoretical and physical model
%A  Robert Sharp, Shawn M.Abernathy, and Lawrence Lohr

%T  Dependence of supercooling of a liquid on its overheating
%A  H.Y.Tong and F.G.Shi

%T  Characterization of foldable protein models.
    Thermodynamics, folding kinetics, and force fields
%A  Ming-Hong Hao and Harold A.Scheraga

%T  Dielectric friction effects on rotational
    reorientation of three cyanine dyes in n-alcohol solutions
%A  Eira Laitinen, Jouko Korppi-Tommola and Juha Linnanto

%T  Equilibrium charge distribution on weak polyelectrolytes
%A  Gerd Berghold, Paul van der Schoot, and Christian Seidel

%T  A molecular dynamics study of translation-rotation
    coupling in the NaCN plastic crystal
%A  Riccardo Chelli, Gianni Cardini, and Salvatore Califano

%T  Theory of photon echoes and hole burning in low
    temperature glasses. How good are the standard approximations?
%A  Eitan Geva and J.L.Skinner

%T  Hard-sphere Yukawa fluid near a planar slit
%A  Jong-Ho Yi and Soon-Chul Kim

%T  Vibrational relaxation in supercritical fluids
    near the critical point
%A  Binny J.Cherayil and Michael D.Fayer