Journal of Chemical Physics
1997, V107, N3, 15 JUL.
%T Kinetics and dynamics of the dissociative chemisorption of
oxygen on Ir(111)
%A J.E.Davis, P.D.Nolan, S.G.Karseboom, and C.B.Mullins
%T Semiclassical initial value theory for dissociation dynamics
%A G.Campolieti and Paul Brumer
%T Unimolecular reactions in the gas and liquid phases. A possible
resolution to the puzzles of the trans-stilbene isomerization
%A Gidon Gershinsky and Eli Pollak
%T Ab initio geometry, quartic force field and vibrational
frequencies for P{_4}
%A B.Joakim Persson, Peter R.Taylor, and Timothy J.Lee
%T CH-stretching overtone spectra and internal
methyl rotation in 2,6-difluorotoluene
%A Chenxi Zhu, Henrik G.Kjaergaard, and Bryan R.Henry
%T Polarisation of emission from asymmetric rotors.
II. Vector reorientation through intra-molecular
coupling and inelastic collisions
%A Kaspars Truhins, Anthony J.McCaffery, Zeyad T.Alwahabi,
and Zaid Rawi
%T An accurate potential energy curve for helium based
on ab initio calculations
%A A.R.Janzen and R.A.Aziz
%T Unimolecular dissociation of trivalent metal cluster ions.
The size evolution of metallic bonding
%A E.Cottancin, M.Pellarin, J.Lerme, B.Baguenard, B.Palpant,
J.L.Vialle, and M.Broyer
%T Reactant-product decoupling approach to half-
scattering problems. Photodissociation of H{_2}O in 3D
%A Dunyou Wang, Wei Zhu, John Z.H.Zhang, and Donald J.Kouri
%T H atom formation dynamics in the dissociation of
CH{_3}-CF{_2}Cl (HCFC-142b) after UV and VUV laser photoexcitation
%A R.A.Brownsword, M.Hillenkamp, T.Laurent,
H.-R.Volpp, J.Wolfrum, R.K.Vatsa, and H.-S.Yoo
%T Energy switching approach to potential surfaces.
II. Two-valued function for the water molecule
%A A.J.C.Varandas
%T Oscillatory instabilities during formic acid oxidation on Pt(100),
Pt(110) and Pt(111) under potentiostatic control. I. Experimental
%A P.Strasser, M.Lubke, F.Raspel, M.Eiswirth, and G.Ertl
%T Oscillatory instabilities during formic acid oxidation on Pt(100),
Pt(110) and Pt(111) under potentiostatic control.
II. Model calculations
%A P.Strasser, M.Eiswirth, and G.Ertl
%T Resonant two-photon ionization spectroscopy of LiCu
%A Larry M.Russon, Gretchen K.Rothschopf, and Michael D.Morse
%T Determinants of secondary structure of polypeptide chains.
Interplay between short range and burial interactions
%A Andrzej Kolinski and Jeffrey Skolnick
%T Fast, accurate semiemprical molecular orbital calculations
for macromolecules
%A Steven L.Dixon and Kenneth M.Merz, Jr.
%T Nonadiabatic coupling of the 3p Rydberg and {pipi}
valence states of acetone
%A Ruth McDiarmid and Xing Xing
%T Photofragmentation of chlorotoluene and dichlorobenzene.
Substituent effects on the dissociation mechanism, and
angular distribution of the Cl fragment
%A Teijiro Ichimura, Yuji Mori, Hisanori Shinohara, and Nobuyuki Nishi
%T On the appearance of resonances in reactive scattering.
An experimental study of the H+D{_2} --> HD+D reaction at
collision energies near 1.29 eV
%A E.Wrede and L.Schnieder
%T Distributed approximating functional fit of the
H{_3} ab initio potential energy data of Liu and Siegbahn
%A Anatoli Frishman, David K.Hoffman, and Donald J.Kouri
%T Measurement of the rotational distribution for the OD product from
the reaction on ND{_3}{^+} + D{_2}O --> ND{_4}{^+} + OD under
translationally thermal conditions
%A Richard J.Green and Richard N.Zare
%T Proton and hydrogen atom transfer in hydrogen
bonded clusters. Ammonia as a paradigm
%A E.M.Snyder and A.W.Castleman, Jr.
%T Sideband optical-optical double resonance Zeeman spectroscopy.
II. Studies of NiH, PdD, and PtH
%A Michael C.McCarthy, Hideto Kanamori, Timothy C.Steimle,
Mingguang Li, and Robert W.Field
%T Sideband optical-optical double resonance Zeeman spectroscopy.
III. Analysis of composite lines and selective detection
%A Michael C.McCarthy and Robert W.Field
%T Study of spatial pattern formation during the NO + H{_2}/Rh(111)
reaction by means of mathematical modeling
%A A.G.Makeev, N.M.H.Janssen, P.D.Cobden,
M.M.Slinko, and B.E.Nieuwenhuys
%T A hybrid semiempirical QM and lattice-sum method
for electrostatic interactions in fluid simulations
%A Jiali Gao and Cristobal Alhambra
%T Vacuum-UV fluorescence spectroscopy of SiF{_4} in
the range 10-30 eV
%A H.Biehl, K.J.Boyle, D.P.Seccombe, D.M.Smith,
R.P.Tuckett, K.R.Yoxall, H.Baumgartel, and H.W.Jochims
%T Comment on: Structure and spectroscopy of (HCN){_n} clusters.
Cooperative and electronic delocalization effects in C-H{^...}N
hydrogen bonding
%A A.J.Stone, P.W.Fowler, and A.D.Buckingham
%T First-order one-electron properties in the integral-direct
coupled cluster singles and doubles model
%A Asger Halkier, Henrik Koch, Ove Christiansen,
Poul Jorgensen, and Trygve Helgaker
%T Comment on: Density functional theory study of some
structural and energetic properties of small lithium clusters
[J.Chem.Phys.105, 9933 (1996)]
%A Constantine Yannouleas and Uzi Landman
%T Reply to the Comment on: Density functional theory study
of some structural properties of small lithium clusters
%A Georges Gardet, Francois Rogemond, and Henry Chermette
%T Flourescence excitation spectroscopy of the
Ar-HCO(X{^~2}A', B{^~2}A') van der Waals complex
%A Scott A.Wright and Paul J.Dagdigian
%T Nonlinear optical response of cofacial phthalocyanine dimers
and trimers
%A Eric S.Manas, Frank C.Spano, and Lin X.Chen
%T Stilbenoid molecules. An experimental and theoretical study of
trans-1-(2-pyridyl)-2-(4-pyridyl)-ethylene and the parent molecule
%A Sonia Melandri, Gianni Maccaferri, Paolo G.Favero,
Walther Caminati, Giorgio Orlandi, and Francesco Zerbetto
%T Measuring Patterson functions of inhomogeneous
liquids using the nuclear dipolar field
%A P.Robyr and R.Bowtell
%T Variational energy band theory for polarons.
Mapping polaron structure with the Toyozawa method
%A Yang Zhao, David W.Brown, and Katja Lindenberg
%T Spin diffusion and spin-lattice relaxation in multiphase polymers
%A Jiahu Wang, Kevin S.Jack, and Almeria L.Natansohn
%T Steric interactions between two grafted polymer brushes
%A Eli Ruckenstein and Buqiang Li
%T Mean field calculation of polymer segment depletion and depletion
induced demixing in ternary systems of globular proteins and
flexible polymers in a common solvent
%A H.M.Schaink and J.A.M.Smit
%T Mean field molecular dynamics with surface hopping
%A Oleg V.Prezhdo and Peter J.Rossky
%T Instability scenarios for doped {^4}He clusters
%A S.M.Gatica, E.S.Hernandez, and M.Barranco
%T Experiments on gas-liquid nucleation of sulfuric acid and water
%A Yrjo Viisanen, Markku Kulmala, and Ari Laaksonen
%T Spin-lattice relaxation study of the photoexcited
triplet states in solid C{_60}
%A Yu.I.Prilutski
%T Effect of the Donnan osmotic pressure on the
volume phase transition of hydrated gels
%A Shigeo Sasaki and Hiroshi Maeda
%T The Cotton-Mouton effect of liquid water.
Part I. The dielectric continuum model
%A Kenneth Ruud, Trygve Helgaker, Antonio Rizzo, Sonia Coriani,
and Kurt V.Mikkelsen