Journal of Chemical Physics
1997, V106, N17, 01 May
%T Molecular reactions in condensed carbon monoxide
studied by ion photodesorption
%A L.Philippe, T.Hirayama, M.J.Ramage, G.Comtet,
M.Rose, L.Hellner, and G.Dujardin
%T Translational and rotational excitation of the CO{_2} (00{^0}O)
vibrationless state in the collisional quenching of highly
vibrationally excited perfluorobenzene. Evidence for impulsive
collisions accompanied by large energy transfers
%A Chris A.Michaels, Zhen Lin, Amy S.Mullin,
H.Charles Tapalian, and George W.Flynn
%T Co overlayers on Ru(0001) studied by helium atom scattering.
Structure, dynamics and the influence of coadsorbed H and O
%A J.Braun, K.L.Kostov, G.Witte, and Ch.Woll
%T Theoretical investigation of the autoionization process in
molecular collision complexes. Computational methods and
applications to He{^*}(2{^3}S) + H(1{^2}S)
%A M.Movre and W.Meyer
%T Photofragment imaging of HNCO decomposition.
Angular anisotropy and correlated distributions
%A A.Sanov, Th.Droz-Georget, M.Zyrianov, and H.Reisler
%T Rovibronic analysis of the laser induced fluorescence
excitation spectrum of the jet-cooled methoxy radical
%A David E.Powers, Michael Pushkarsky, and Terry A.Miller
%T Vibrational mode and frequency dependence of the
photofragmentation of the methoxy radical
%A David E.Powers, Michael Pushkarsky, and Terry A.Miller
%T Ab initio calculation of potential energy surfaces for the three
lowest triplet states (1{^3}A'', 1{^3}A', 2{^3}A'') of PH (X,A)-He
%A Ch.Kolczewski, K.Fink, V.Staemmler, and L.Neitsch
%T Inelastic collisions of fine structure and {LAMBDA}-doublet
resolved rotational states of PH(A{^3}{PI}, v=0) with helium
%A L.Neitsch, F.Stuhl, Paul J.Dagdigian, and Millard H.Alexander
%T Vibrational predissociation spectra of size selected
hydrazine clusters. Experiment and calculations
%A T.A.Beu, U.Buck, I.Ettischer, M.Hobein, J.G.Siebers, and R.J.Wheatley
%T The gas-phase infrared spectra of anthracene-h{_10} and anthracene-d{_10}
%A Elisabetta Cane, Andrea Miani, Paolo Palmieri,
Riccardo Tarroni, and Agostino Trombetti
%T Quantum control of I{_2} in the gas phase and in
condensed phase solid Kr matrix
%A Christopher J.Bardeen, Jianwei Che, Kent R.Wilson,
Vladislav V.Yakovlev, V.A.Apkarian, C.C.Martens,
R.Zadoyan, Bern Kohler, and Michael Messina
%T Resonance-enhanced multiphoton-ionization photo-electron spectroscopy
of even-parity autoionizing Rydberg states of atomic sulphur
%A S.Woutersen, J.B.Milan, W.J.Buma, and C.A.de Lange
%T Comparison study of pivot methods for global optimization
%A Pablo Serra, Aaron F.Stanton, Sabre Kais, and Richard E.Bleil
%T The weakly bound dinitrogen tetroxide molecule. High
level single-reference wavefunctions are good enough
%A Steve S.Wesolowski, Justin T.Fermann,
T.Daniel Crawford, and Henry F.Schaefer III
%T Diels-Alder reactions. An assessment of quantum chemical procedures
%A Vincenzo Barone and Roger Arnaud
%T Quadratic configuration interaction versus coupled cluster
theory. Importance of orbital relaxation phenomena in CuH and CuF
%A Jan Hrusak, Seiichiro Ten-no, and Suehiro Iwata
%T Theortical studies of CO interaction on RH{_3} cluster
%A D.Majumdar and K.Balasubramanian
%T Elimination of high-order terms in multiple-pulse NMR
spectroscopy. Application to homonuclear decoupling in solids
%A M.Hohwy and N.C.Nielsen
%T Nonadiabatic molecular dynamics simulation of ultrafast
pump-probe experiments on I{_2} in solid rare gases
%A V.S.Batista and D.F.Coker
%T A microcanonical Monte Carlo method for simulating
vibrationally excited molecules embedded in clusters
%A Alison J.Marks
%T Photoinduced Rydberg ionization (PIRI) spectroscopy of phenol.
The structure and assignment of the B{^~}-state of the cation
%A J.E.LeClaire, R.Anand, and P.M.Johnson
%T On coherent-state representations of quantum mechanics.
Wave mechanics in phase space
%A Klaus B.Moller, Thomas G.Jorgensen, and Gabino Torres-Vega
%T Removal rates for the collisional quenching of
various vibronic levels of ground state NCO by
simple molecules (N{_2}, O{_2}, NO, CO{_2}, N{_2}O and SO{_2})
%A Jose A.Fernandez, Pilar Puyuelo, David Husain, Maria N.Sanchez Rayo,
and Fernando Castano
%T A new grid-free density-functional technique.
Application to the torsional energy surfaces
of ethane, hydrazine, and hydrogen peroxide
%A Katrina S.Werpetinski and Michael Cook
%T Photochemistry of adsorbed molecules. XVII. Photodissociation
at 193 nm of CH{_3}Br adsorbed on LiF(001) and NaCl(001)
%A S.J.Garrett, D.V.Heyd, and J.C.Polanyi
%T Photochemistry of adsorbed molecules. XVIII. Photodissociation
and exchange reaction in CH{_3}Br/MgO(001) at 193 nm
%A S.J.Garrett, D.V.Heyd, and J.C.Polanyi
%T Semiclassical study on multidimensional effects in tunneling
chemical reactions. Tunneling paths and tunneling tubes
%A Hiroshi Ushiyama and Kazuo Takatsuka
%T Millimeter-wave spectroscopy of the iron carbonyl radical (FeCO)
%A Keiichi Tanaka, Mitsuaki Shirasaka, and Takehiko tanaka
%T Theoretical characterization of the low-lying
excited states of the CuCl molecule
%A C.Sousa, W.A.de Jong, R.Broer, and W.C.Nieuwpoort
%T Dynamics and relaxation in interacting systems. Semigroup methods
%A Ronnie Kosloff, Mark A.Ratner, and William B.Davis
%T Level-dependent damping in intermolecular vibrations. Linear spectroscopy
%A Richard A.Farrer, Brian J.Louhnane, Laura A.Deschenes, and John T.Fourkas
%T The ground state ({^1}A{_1}) and the lowest triplet
state ({^3}B{_1}) of the phenyl cation C{_6}H{_5}{^+} revisited
%A Jan Hrusak, Detlef Schroder, and Suehiro Iwata
%T The absolute absorption strength and vibrational
coupling of CH stretching on diamond C(111)
%A C.-L.Cheng, J.-C.Lin, and H.-C.Chang
%T Measurement of absolute differential cross sections
for the excitation of the {pi},{pi}* triplet state of
ethene by electron impact at 0{^o} and 180{^o}
%A Knut R.Asmis and Michael Allan
%T Anharmonicity of the O{_2}-Ag(001) chemisorption potential
%A F.Buatier de Mongeot, A.Cupolillo, U.Valbusa, and M.Rocca
%T Ghost levels and near-variational forms of the discrete
variable representation. Application to H{_2}0
%A Hau Wei
%T The doubly-excited states of the H{_2} molecule
%A I.Sanchez and F.Martin
%T Nonadiabatic molecular dynamics simulations of the
photofragmentation and geminate recombination dynamics
in size-selected I{_2}{^-} {^.} Ar{_n} cluster ions
%A V.S.Batista and D.F.Coker
%T Off-resonant coherent hyper-Raman scattering spectroscopy
%A Minhaeng Cho
%T Extended diffusion theory of reorientation of
symmetric top molecules with internal rotation
%A Joonkyung Jang and Kook Joe Shin
%T Collisional energy transfer between Ar and normal and vibrationally and
rotationally frozen internally excited benzene-trajectory calculations
%A V.Bernshtein and I.Oref
%T Rotational state-resolved sticking coefficients for H{_2} on
Pd(111). Testing dynamical steering in dissociative adsorption
%A Michael Gostein and Greg O.Sitz
%T Pure rotational spectra of the van der Waals
complexes Ne-CO, Kr-CO and Xe-CO
%A Kaley A.Walker, Teruhiko Ogata, Wolfgang Jager,
M.C.L.Gerry, and Irving Ozier
%T A kinetic study of the interaction of gaseous
H(D) atoms with D(H) adsorbed on Ni(100) surfaces
%A Th.Kammler, J.Lee, and J.Kuppers
%T Density functional theory investigation of
hyperfine coupling constants in peroxy radicals
%A Stacey D.Wetmore, Russell J.Boyd, and Leif A.Eriksson
%T Photoabsorption probability for a system governed by a
time-dependent Hamiltonian through the (t,t') formalism
%A John W.Pang, Daniel Neuhauser, and Nimrod Moiseyev
%T Electric field and ion concentration effects on the production
of zero-kinetic energy states of benzene. A unified mechanism
%A Andrew Held, Leonid Ya Baranov, Heinrich L.Selzle, and Edward W.Schlag
%T Molecular dynamics simulation of a liquid crystalline mixture
%A Dick Sandstrom, Andrei V.Komolkin, and Arnold Maliniak
%T Multidimensional generalisation of the Pollak-Grabert-Hanggi
turnover theory for activated rate processes
%A Eli Hershkovitz and Eli Pollak
%T Small angle scattering of a polydisperse system of
interacting hard spheres. An analytical solution
%A Pietro Riello and Alvise Benedetti
%T Critical evolution of hot Van der Waals droplets
%A V.N.Kondratyev, H.O.Lutz, and S.Ayik
%T Comparison of shear flow of hexadecane in a confined geometry and in bulk
%A Mark J.Stevens, Maurizio Mondello, Gary S.Grest,
S.T.Cui, H.D.Cochran, and P.T.Cummings
%T An investigation of the influence of solute size
and insertion conditions on solvation thermodynamics
%A N.M.Cann and G.N.Patey
%T Monte Carlo studies of self-assembled monolayers using
simple generalized models. II. A two-site molecular model
%A A.J.Pertsin and M.Grunze
%T Microscopic parameters influencing the phase separation in
compressible binary blends of linear semiflexible polymers
%A K.W.Foreman and Karl F.Freed
%T Inherent amorphous structures and statistical mechanics of melting
%A Alexander Z.Patashinski and Mark A.Ratner
%T Distribution of reorientational times of optically anisotropic
molecular liquids from depolarized light scattering studies
%A K.L.Ngai, G. Floudas, and A.K.Rizos
%T Smoluchowski-type theory of stochastically gated
diffusion-influenced reactions
%A Alexander M.Berezhkovskii, Yu.A.Makhnovskii,
Dah-Yen Yang, Sheh-Yi Sheu and Sheng Hsien Lin
%T A Monte Carlo (N,V,T) study of the stability of
charged interfaces. A simulation on a hypersphere
%A A.Delville, R.J.-M.Pellenq, and J.M.Caillol
%T Orientational ordering in the mixed crystal
Ar{_1-x}(N{_2}){_x}. A molecular dynamics study
%A Simone Raugei, Gianni Cardini, Vincenzo Schettino, and Hans J.Jodl
%T The electronic structure of metal-molten salt
solutions. A tight-binding approach
%A Thorsten Koslowski
%T Gas-liquid nucleation of nonideal binary mixtures.
II. Examination of classical predictions
%A Ari Laaksonen
%T Optical properties of one-dimensional exciton
systems. Beyond the Heitler-London approximation
%A Lisette D.Bakalis and Jasper Knoester
%T Grand canonical Monte Carlo and modified singlet integral equations
for the density profile of a Yukawa fluid near a planar wall
%A Wilmer Olivares-Rivas, Leo Degreve,
Douglas Henderson, and Jacqueline Quintana
%T Phase transitions in molecular clusters
%A Anita J.Acevedo, Linnette M.Caballero, and Gustavo E.Lopez
%T Determination of elastic constants and rotational viscosity
of micellar liquid crystals by conductivity measurements
%A J.Bajc, G.Hillig, and A.Saupe
%T Effect of dipole-ion interactions on the Ginzburg
temperature of ionic fluids
%A W.Schroer and V.C.Weiss
%T Rheology of model confined ultrathin fluid films.
I. Statistical mechanics of the surface force apparatus experiments
%A Philippe Bordarier, Bernard Rousseau, and Alain H.Fuchs
%T A classical time-frequency theory of transient absorption spectroscopy
%A Jianwei Che, Weimin Zhang, and YiJing Yan
%T A simplified approach to the interpretation of nuclear
spin correlations in entangled polymeric liquids
%A R.C.Ball, P.T.Callaghan, and E.T.Samulski
%T Fluctuations effects in diblock copolymer fluids.
Comparison of theories and experiment
%A Marina Guenza and Kenneth S.Schweizer