Journal of Chemical Physics
15 Aug 1997, V107, N7.
%T Vibrational structure in atomic emission spectra.
Hg atoms in molecular matrices
%A C.Crepin and A.Tramer
%T Ultrafast vibrational relaxation of diatomic
chalcogen hydrides in alkali halides
%A C.E.Mungan, U.Happek, J.T.McWhirter, and A.J.Sievers
%T Femtosecond two-dimensional spectroscopy from anharmonic
vibrational modes of molecules in the condensed phase
%A K.Okumura and Y.Tanimura
%T Circular dichroism at microwave frequencies. Calculated rotational
strengths of selected transitions for some oxirane derivatives
%A W.R.Salzman
%T Ab initio calculations on the electronic states
of GaAr and GaAr{^+}
%A Su Jin Park, Myeong Cheol Kim, Yoon Sup Lee, and Gwang-Hi Jeung
%T The C{^~ 2}A{_2} excited state of NO{_2}. Evidence for a C{_s}
equilibrium structure and a failure of some spin-restricted
reference wavefunctions
%A T.Daniel Crawford, John F.Stanton, Peter G.Szalay,
and Henry F.Schaefer,III
%T Intramolecular proton transfer direct dynamics in
the glycolate anion. Isotope effects
%A Antonio Fernandez-Ramos, Jesus Rodriguez-Otero, and Miguel A.Rios
%T Ab initio characterization of the structure and
energetics of the ArHF complex
%A Tanja van Mourik and Thom H.Dunning, Jr.
%T Ground-state intermolecular spectroscopy and
pendular states in benzene-argon
%A Wousik Kim and Peter M.Felker
%T Is laser heating advantageous for thermal desorption of
large polar molecules?
%A Martin Handschuh, Stefan Nettesheim, and Renato Zenobi
%T Electronic structure and optical properties of
electroluminescent spiro-type molecules
%A N.Johansson, D.A.dos Santos, S.Guo, J.Cornil, M.Fahlman,
J.Salbeck, H.Schenk, H.Arwin, J.L.Bredas, and W.R.Salaneck
%T Predicting electron affinities with density functional theory.
Some positive results for negative ions
%A Gregory S.Tschumper and Henry F.Schaefer, Jr.
%T Exact quantum stereodynamics. The steric effect
for the Li + HF --> LiF + H reaction
%A J.M.Alvarino, V.Aquilanti, S.Cavelli,
S.Crocchanti, A.Lagana, and T.Martinez
%T Erratum: Computer simulations of dense hard-sphere systems
[J.Chem.Phys.105, 9258 (1996)]
%A M.D.Rintoul and S.Torquato
%T Bond energies of MgKr{^+} and MgXe{^+} from resonant
two-color photoionization thresholds
%A John G.Kaup and W.H.Breckenridge
%T Avoided crossings, scars, and transition to chaos
%A F.J.Arranz, F.Borondo, and R.M.Benito
%T Angle-resolved photolelectron and photoion study on the
shape resonance in the B 1s ionization region of BF{_3}
%A Y.Shimizu, K.Ueda, H.Chiba, K.Ohmori, M.Okunishi, Y.Sato,
and T.Hayaishi
%T Symmetries and dissociation dynamics of F 1s
core excited states of BF{_3}
%A Y.Shimizu, K.Ueda, H.Chiba, M.Okunishi,
K.Ohmori, J.B.West, Y.Sato, and T.Hayaishi
%T Near-infrared band of the nitrate radical NO{_3}
observed by diode laser spectroscopy
%A Eizi Hirota, Takashi Ishiwata, Kentarou Kawaguchi,
Masaharu Fujitake, Nobukimi Ohashi, and Ikuzo Tanaka
%T Femtosecond photon echoes in molecular aggregates
%A T.Meier, V.Chernyak, and S.Mukamel
%T Cs{^+} reactive scattering from a Si(111) surface
adsorbed with water
%A M.C.Yang, C.H.Hwang, and H.Kang
%T Photoelectron and photofragment velocity map imaging of
state-selected molecular oxygen dissociation/ionization dynamics
%A D.H.Parker and A.Eppink
%T Measurements of the structure of methyltrioxo-rhenium using
microwave spectroscopy
%A P.Wikrent, B.J.Drouin, S.G.Kukolich,
J.C.Lilly, M.T.Ashby, W.A.Herrmann, and W.Scherer
%T Gas phase thermochemical stabilities of cluster
ions [(N{_2}){_m}(Ar){_n}]{^+} with (m+n)=1-5
%A K.Hiraoka, S.Fujimaki, M.Nasu, A.Minamitsu, S.Yamabe, and H.Kouno
%T Spectroscopy and dynamics of rare gas-spherical top
complexes. III. The infrared spectrum of the {nu}{_3}
band of Ne-SiH{_4} (j = 1 <-- 1 and j = 2 <-- 1 transitions
%A Matthew D.Brookes, Daniel J.Hughes, and Brian J.Howard
%T Metal-insulator segregation in lithium rich
Li{_n}H{_m}{^+} clusters
%A R.Antoine, Ph.Dugourd, D.Rayane, E.Benichou, and M.Broyer
%T The OBrO C({^2}A{_2}) <-- X({^2}B{_1}) absorption spectrum
%A Charles E.Miller, Scott L.Nickolaisen,
Joseph S.Francisco, and Stanley P.Sander
%T The microwave spectrum and nuclear quadrupole
hyperfine structure of HCCH-N{_2}O
%A Helen O.Leung
%T Semiclassical tunneling in the initial value representation
%A Kenneth G.Kay
%T A global A-state potential surface for H{_2}O.
Influence of excited states on the O({^1}D) + H{_2} reaction
%A George C.Schatz, Anatasios Papaioannou, Lisa A.Pederson,
Lawrence R.Harding, Timotny Hollebeek, Tak-San Ho,
and Herschel Rabitz
%T Reaction dynamics of O({^1}D) + H{_2}, D{_2} and HD.
A direct evidence for the elusive abstraction
pathway and the determination of its branching
%A Yen-Tsung Hsu, Jeng-Han Wang, and Kopin Liu
%T Upconversion dynamics of Er{^3+} doped RbGd{_2}Br{_7}
%A Toni Riedener and Hans U.Gudel
%T Collisional population of ultra-high, ultra-long-living Rydberg
states under ZEKE conditions
%A Paolo Bellomo, David Farrelly, and T.Uzer
%T Is the Gaussian-2 technique reliable for determining the
energetics of small molecular dications
%A Simon Petrie
%T Deexcitation of Ne({^3}P{_1}) and Ne({^3}P{_2}) in collisions
with Ar, Kr, and Xe
%A Deba Bahadur Khadka, Yuji Fukuchi, Masashi Kitajima, Koji Hidaka,
Noriyuki Kouchi, Yoshihiko Hatano, and Masatoshi Ukai
%T Relative predissociation rates of OH (A{^2}{SIGMA}{^+}, v'=3) from
combined cavity ring down - laser induced fluorescence measurements
%A J.J.L.Spaanjaars, J.J.ter Meulen, and G.Meijer
%T Dynamics around a multidimensional conical intersection.
A mixed quantum-classical model
%A Alessandro Ferretti, Alessandro Lami, and Giovanni Villani
%T On the Longuet-Higgins phase and its relation to
the electronic adiabatic-diabatic transformation angle
%A Michael Baer
%
T Mass selected anion zero kinetic energy photoelectron spectroscopy
(anion-ZEKE). Ground and low excited states of FeO
%A G.Drechsler, U.Boesl, C.Ba{beta}mann, and E.W.Schlag
%T Vibrational deactivation of N{_2} (nu = 1) by inelastic collisions
with {^3}He and {^4}He. An experimental and a theoretical study
%A J.P.Reid, A.J.Thakkar, P.W.Barnes, E.F.Archibong, H.M.Quiney,
and C.J.S.M.Simpson
%T Yield determination of OH(v=0,1) radicals produced
by the electron-ion recombination of H{_3}O{^+} ions
%A Theodosia Gougousi, Rainer Johnsen, and Michael F.Golde
%T Yield determination of OH(v=0,1) radicals produced
by the electron-ion recombination of protonated molecules
%A Theodosia Gougousi, Rainer Johnsen, and Michael F.Golde
%T Explicit expressions for triatomic Eckart frames
in Jacoti, Radau, and bond coordinates
%A Hua Wei and Tucker Carrington, Jr.
%T Linestrengths of diatomics.
The b{^1}{SIGMA}{^+}v'=0 --> X{^3}{SIGMA}{^-}
v"=0 transition of the NF radical
%A G.Di Stefano, M.Lenzi, G.Piciacchia, and A.Ricci
%T Use of Gauss-Hermite quadrature in the treatment of
predissociation resonances with the complex scaling method
%A Yan Li, Ota Bludsky, Gerhard Hirsch, and Robert J.Buenker
%T Microwave spectroscopic and ab initio studies of
the hydrogen-bonded trimethylamine-hydrogen sulfide complex
%A Michael J.Tubergen, Jonathan E.Flad, and Janet E.Del Bene
%T Kohn-Sham orbital formulation of the chemical
elecronic responses, including the hardness
%A P.Senet
%T Rotationally resolved multiphoton ionization photoelectron
spectroscopy of the [a {^1}{DELTA}]3d{pi} {^2}{PHI} and
[a {^1}{DELTA}]5p{pi} {^2}{PHI} Rydberg states of the SH radical
%A J.B.Milan, W.J.Buma, C.A.de Lange, Kwanghsi Wang, and V.McKoy
%T Collisional energy transfer of highly vibrationally excited
NO{_2}. The role of intramolecular vibronic coupling and
the transition dipole coupling mechanism
%A Gregory V.Hartland, Dong Qin, Hai-Lung Dai, and Carl Chen
%T Erratum: Resonant X-ray scattering beyond the Born-Oppenheimer
approximation. Symmetry breaking in the oxygen resonant
X-ray emission spectrum of carbon dioxide
%A Amary Cesar, Faris Gel-mukhanov, Yi Luo, Hans Agren, Per Skytt,
Peter Glans, Jinghua Guo, Kerstin Gunnelin, and Joseph Nordgren
%T Density functional calculations of molecular g-tensors in the
zero order regular approximation for relativistic effects
%A Erik van Lenthe, Paul E.S.Wormer, and Ad van der Avoird
%T The NO({alpha}{^4}{ZETA}) state. Spectroscopy of the
{alpha}{^4}{PI}{_i}-X{^2}{PI}{_r} 11-0 and 14-O bands
%A Philip C.Cosby, Richard A.Copeland, David G.Williamson,
Gilles Gaudin, Mark J.Dyer, David L.Huestis, and Tom G.Slanger
%T The NO({alpha}{^4}{ZETA}) state. Collisional removal of v = 11
and {alpha}{^4}{ZETA}/{beta}{^2}{ZETA} interactions
%A Richard A.Copeland, Mark J.Dyer, Hannelore Bloemink,
and Tom G.Slanger
%T The frequency-dependent conductivity of a saturated solution of
ZnBr{_2} in water. A molecular dynamics simulation
%A Gerald Loffler, Hellfried Schreiber, and Othmar Steinhauser
%T On the validity of a variational principle for
multicomponent systems
%A C.Marin and V.Garzo
%T Perturbation theory in the kinetics of first-order
phase transitions
%A Sergey A.Kukushkin and Andrew V.Osipov
%T Lamellar biogels comprising fluid membranes with
a newly synthesized class of polyethylene glycol-surfactants
%A H.E.Warriner, P.Davidson, N.L.Slack, M.Schellhorn, P.Eiselt,
S.H.J.Idziak, H.-W.Schmidt, and C.R.Safinya
%T Linear and nonlinear polarizabilities of poly-diacetylene and
polybutatriene chains. An ab initio coupled Hartree-Fock
investigation
%A Eric A.Perpete, Benoit Champagne, and Bernard Kirtman
%T A new definition of cavities for the computation of solvation
free energies by the polarizable continuum model
%A Vincenzo Barone, Maurizio Cossi, and Jacopo Tomasi
%T Spin-polarized H/D atoms and radiation chemistry
in amorphous silica
%A I.A.Shkrob and A.D.Trifunac
%T Computer simulation studies of anisotropic systems.
XXVI. Liquid crystal dimers. A generic model
%A G.R.Luckhurst and S.Romano
%T A symplectic method for rigid-body molecular simulation
%A Ayla Kol, Brian B.Laird, and Benedict J.Leimkuhler
%T Orientational order and rotational dynamics of
the amide ions in potassium amide. I. Neutron diffraction
%A M.Muller, J.Senker, B.Asmussen, W.Press,
H.Jacobs, W.Kockelmann, H.M.Mayer, and R.M.Ibberson
%T Confined thin films of linear and branched alkanes
%A Marjolein Dijkstra
%T Cytochrome-c in reverse micelles. Small angle X-rays scattering
measurements, percolation process and critical behavior.
An interpretation with an association model
%A G.Cassin, Y.Duda, M.Holovko, J.P.Badiali, and M.P.Pileni
%T Near IR photoluminescence in mixed films of
conjugated polymers and fullerenes
%A K.Hasharoni, M.Keshavarz-K., A.Sastre, R.Gonzalez,
C.Bellavia-Lund, Y.Greenwald, T.Swager, F.Wudl, and A.J.Heeger
%T Pressure dependence of the miscibility of poly(vinyl methyl ether)
and polystyrene. Theoretical representation
%A Lijia An, Roland Horst, and B.A.Wolf
%T Biased reptation of polyampholytes.
Trapping and enhancement effects
%A D.Loomans, H.Schiessel, and A.Blumen
%T Doped ionic magnetic fluids. A resonance characterization
%A G.J.Da Silva, P.C.Morais, F.A.Tourinho
%T A thermodynamic model for polymerized unary liquids
%A Carles Comas and Maria Teresa Mora
%T Plastic crystal phases of hard dumbbells and hard spherocylinders
%A C.Vega and P.A.Monson
%T Slow manifold structure and the emergence of
mixed-mode oscillations
%A Andrei Goryachev, Peter Strizhak, and Raymond Kapral
%T Theory and simulation of vibrational effects on
structural measurements by solid state NMR
%A Yoshitaka Ishii, Takehiko Terao, and Soichi Hayashi
%T On the excess enthalpy and volume of two-component Lennard-Jones
fluids in supercritical region. Is the mixture of simple
liquids simple?
%A Ichiro Fujihara and Koichiro Nakanishi
%T The structure of supercritical heavy water as
studied by neutron diffraction
%A M.C.Bellissent-Funel, T.Tassaing, H.Zhao,
D.Beysens, B.Guillot, and Y.Guissani
%
T Agmon-Hopfield kinetics in the slow diffusion regime
%A Philip Pechukas and Joachim Ankerhold
%
T Quantum reaction in a condensed phase. Turnover
behavior from new adiabatic factorizations and corrections
%A Steven D.Schwartz
%T Molecular dynamics simulation of polymer
crystallization through chain folding
%A Takashi Yamamoto
%T Distributed approximating functional approach
to the Fokker-Planck equation. Time propagation
%A G.W.Wei, D.S.Zhang, D.J.Kouri, and D.K.Hoffmann