Journal of Chemical Physics
08 Dec 1996, V105, N 22.
%T Microwave spectroscopy of mixed alkali halide dimers. LiNaF{_2}
%A S. Biermann, J. Hoeft, T. Torring, R. Mawhorter,
F.J. Lovas, R.D. Suenram, Y. Kawashima, and E. Hirota
%T Conformational dynamics of the CO:CO{_2} complex
in argon matrices. I. Thermodynamical considera-
tions derived from the observed kinetics
%A V. Raducu, B. Gauthier-Roy, R. Dahoo, L. Abouaf-Marguin, J. Langlet,
J. Caillet, and M. Allavena
%T The photodissociation of ClO{_2}. Potential
energy surfaces of OClO --> Cl + O{_2}
%A Kirk A. Peterson and Hans-Joachim Werner
%T An ab initio benchmark study of the H + CO --> HCO reaction
%A David E. Woon
%T Study of the low-lying electronic states of CCO by photoelectron
spectroscopy of CCO{^-} and ab initio calculations
%A V. Zengin, B. Joakim Persson, K.M. Strong, and R.E. Continetti
%T Spectroscopic characterization of the excited
Mg(3s3d {^3}D{_J}){^.}Ar({^3}{PI}), Mg(3s3d {^3}D{_J}){^.}Ar({^3}{DELTA}),
and Mg(3s4p {^3}P{_J}){^.}Ar({^3}{PI}) van der Waals states
%A Steven Massick and W.H. Breckenridge
%T Observation and spectroscopy of high-lying states
of the CaOH radical. Evidence for a bent, covalent state
%A R. Pereira and D.H. Levy
%T On the heat of formation of carbonyl fluoride, CF{_2}O
%A Robert L. Asher, Evan H. Appelman, and Brnako Ruscic
%T State-to-state collision energy transfer of {^7}Li{_2} within high-lying
triplet states. Gateway effect of mixed levels in energy transfer between
singlet and triplet states
%A Li Li, S. Antonova, A. Yiannopoulou, K. Urbanski, and A.M. Lyyra
%T Comparison of density functional and coupled cluster
methods in the study of metal-ligand systems. Sc-CO{_2} and Cu-NO{_2}
%A Luis Rodriguez-Santiago, Mariona Sodupe, and Vicenc Branchadell
%T Quasiclassical trajectory calculations for the
OH(X{^2}{PI}) and OD(X{^2}{PI}) + HBr reactions. Energy
partitioning and rate constants
%A B. Nizamov, D.W. Setser, H. Wang, G.H. Peslherbe, and W.L. Hase
%T Ultrafast infrared study of UV photodissociation of Mn{_2}(CO){_10}
%A J.C. Owrutsky and A.P. Baronavski
%T Energy redistribution in cluster-surface collision.
I{_2}{^-}(CO{_2}){_n} onto silicon surface
%A Hisato Yasumatsu, Shin'ichi Koizumi, Akira Terasaki, and Tamotsu Kondow
%T Nongaussian behaviour and the dynamical complexity
of particle motion in a dense two dimensional liquid
%A M.M. Hurley and Peter Harrowell
%T Origin of chemical instability in the bromate-sulfite flow system
%A Ichiro Hanazaki and Gyula Rabai
%T Mixed quantum/classical simulation of the photolysis of HC1 on MGO(001)
%A M. Hintenender, F. Robentrost, R. Kosloff, and R.B. Gerber
%T Frequency-selective heteronuclear dephasing by dipole couplings in
spinning and static solids
%A Andrew E. Bennett, Chad M. Rienstra, Peter T. Lansbury, Jr.,
and Robert G. Griffin
%T Rationale for mixing exact exchange with density functional approximations
%A John P. Perdew, Matthias Ernzerhof, and Kieron Burke
%T Extraction of the transition dipole matrix from
the photodissociation of oriented/aligned parent molecules
%A Christopher D. Fuglesang, Delroy A. Baugh, and Leonard C. Pipes
%T Detection of DCl by multiphoton ionization and determination of DCl
and HCl internal state distributions
%A Paul J. Dagdigian, David F. Varley, Rohana Liyanage, Robert J. Gordon,
and Robert W. Field
%T Low-lying ionization potentials of O{_3} and NO{_2} using
the multiconfigurational spin tensor electron propagator method (MCSTEP)
%A Alexander J. McKellar, Danny L. Yeager, Jeffrey A. Nichols,
and Joseph T. Golab
%T Collinear (He,HD{^+}) and (He,DH{^+}) collisions: Transition state
resonances and dynamics by time-dependent quantal wave packet approach
%A S. Mahapatra and N. Sathyamurthy
%T Bounds for the zeroth-order exchange-energy functional for atomic systems
%A Jianmin Tao and Guobao Li
%T Computer simulations of the Raman Q-branch of nitrogen in helium
%A J.P.J. Michels, M.I.M. Scheerboom, and J.A. Schouten
%T Macrostates of classical stochastic systems
%A David Shalloway
%T Bending dynamics from acetylene spectra.
Normal, local, and precessional modes
%A John P. Rose and Michael E. Kellman
%T DFT study of some structural and energetic
properties of small lithium clusters
%A Georges Gardet, Francois Rogemond, and Henry Chermette
%T A parity function for studying the molecular electronic structure
%A Hartmut Schmider
%T One- and two-color resonance-enhanced multiphoton ionization spectroscopy
of the Kr{^.}NO complex via the A{^~2}{SIGMA}{^+} state
%A Andrew M. Bush, John M. Dyke, Paul Mack, David M. Smith,
and Timothy G. Wright
%T Optical characterization and electronic energy-
level structure of Er{^3+}-doped CsCDBr{_3}
%A John R. Quagliano, Nigel J. Cockroft, Kevin E. Gunde, and F.S. Richardson
%T A simple model of HNCO ({^1}A') excited state potential energy surface
and a classical trajectory analysis of the vibrationally directed bond-
selected photodissociation
%A Steven S. Brown, Christopher M. Cheatum, David A. Fitzwater,
and F. Fleming Crim
%T Rotational tunneling of partially deuterated methyl groups. Optical
studies of dimethyl-s-tetrazine in different crystalline matrices
%A M. Johnson, K. Orth, J. Friedrich, and H.P. Trommsdorff
%T Luminescent charge transfer in a beam of CO{^+}{^+}
colliding with Ar, N{_2}, H{_2}, D{_2} and CO
%A A. Ehbrecht, N. Mustafa, Ch. Ottinger, and Z. Herman
%T The effect of rotation on resonances. Application to HCO
%A Jianxin Qi and Joel M. Bowman
%T NO {mu}-v-j correlations in the photofragmentation
of 2-chloro-2-nitrosopropane
%A Radoslaw Uberna, Robert D. Hinchliffe, and Joseph I. Cline
%T Tunneling currents in electron transfer reaction in proteins.
II. Calculation of electronic superexchange
matrix element and tunneling currents using non-orthogonal basis sets
%A Alexei A. Stuchebrukhov
%T Dynamics of the formation of CD{_4} from the direct
reaction of incident D atoms with CD{_3}/Cu(111)
%A C.T. Rettner, D.J. Auerbach, and J. Lee
%T London equation of state for quantum hard disks
%A M.A. Solis
%T Transient reactions in a binary suspension of diffusing spheres
%A B.U. Felderhof and R.B. Jones
%T Solid-fluid phase equilibrium for single component and binary
Lennard-Jones systems. A cell theory approach
%A X. Cottin and P.A. Monson
%T A thermodynamic distance criterion of optimality
for the calculation of free energy changes from computer simulations
%A J.C. Schon
%T Theory and simulation of central force model potentials. Application
to homonuclear diatomic molecules
%A Fernando Bresme, Jose L.F. Abascal, and Enrique Lomba
%T Electro-osmosis. Velocity profiles in different geometries with both
temporal and spatial resolution
%A Olle Soderman and Bengt Jonsson
%T A computational study of thirteen-atom Ar-Kr cluster heat capacities
%A D.D. Frantz
%T Competition effects in steady state diffusion-limited reactions.
Renormalization group approach
%A S.D. Traytak
%T Nuclear quadrupole resonance lineshape study of
the orientationally disordered phase of p-chloro nitrobenzene
%A Cecilia E. Gonzalez and Daniel J. Pusiol
%T Phase separation in mixtures of a rodlike colloid
and two or more rodlike polymers
%A Richard P. Sear and Daan Frenkel
%T Determination of electroaffinity and ionization potential of conjugated
polymers via Fowler-Nordheim tunneling measurements.
Theoretical formulation and application to poly(p-phenylene vinylene)
%A L.S. Roman, I.A. Hummelgen, F.C. Nart, L.O. Peres, and E.L. de Sa
%T The effects of pressure and temperature on the molecular dynamics during
linear-chain polymerization by dielectric measurements
%A G.P. Johari, J.G. McAnanama, and D.A. Wasylyshyn
%T Weighted-density approximations for homogeneous binary fluids
%A Sang Gyu Jo and Soon-Chul Kim
%T Solvation dynamics study of 3-aminophthalmide
in n-butanol solution at different temperatures
%A Eira Laitinen, Keijo Salonen, and Timo Harju
%T The ionic strength dependence of the structure and dynamics of
polyelectrolyte solutions as seen by light scattering.
The slow mode dilemma
%A Marian Sedlak
%T Coarsening mechanisms of droplet spinodal decomposition in binary
fluid mixtures
%A Hajime Tanaka
%T The thermal conductivity of methane in the critical region
%A E.P. Sakonidou, H.R. van den Berg, C.A. ten Seldam, and J.V. Sengers
%T The short-time intramolecular dynamics of solutes in liquids.
I. An instantaneous-normal-mode theory for friction
%A Grant Goodyear and Richard M. Stratt
%T Absence of high-density consolute point in nematic hard rod mixtures
%A Rene van Roij and Bela Mulder