Journal of Chemical Physics
1 Jan 1997, V106, N1.
%T The vibrational spectra of molecular ions
isolated in solid neon. XIV. Ch{_3}F{^+}, CH{_3}Cl{^+},
Ch{_3}Br{^+}, and their ylidion isomers
%A Catherine L. Lugez, Daniel Forney, Marilyn E. Jacox, and Karl K. Irikura
%T Photofragmentation dynamics of Mg{_2}H{_2}0{^+}
%A J. Chen, Y.C. Cheng, and P.D. Kleiber
%T Ab initio potential energy surfaces and nonadiabatic couplings involved
in Be{^4}{^+} + H{_2} electron rearrangement
%A L.F. Errea, J.D. Gorfinkiel, E.S. Kryachtk A. Macias, L. Mendez,
and A. Riera
%T Inelastic collision dynamics of vibrationally excited I{_2}(X)
%A W.G. Lawrence, T.A. Van Marter, M.L. Nowlin, and M.C. Heaven
%T Vibrational excitation of ammonia clusters by helium atom scattering
%A U. Buck, R. Krohne, and S. Schutte
%T Erratum: The transport properties of fluid mixtures near the
vapor-liquid critical line [J. Chem. Phys. 104, 3026 (1996)]
%A J. Luettmer-Strathmann and J.V. Sengers
%T Orbital hardness matrix and Fukui indices, their direct SCF calculations,
and a derivation of localized Kohn-Sham orbitals
%A Guang-Hua Liu
%T Dynamics of dissipation processes in the Ag-Xe-complex
%A R. Kometer and N. Schwentner
%T Auger decay of the molecular field split S 2p core
excited states in HS radical
%A A. Naves de Brito, S. Svensson, S.J. Osborne, A. Ausmees, A. Kivimaki,
O.-P. Sairanen, E. Nommiste, H. Aksela, S. Aksela, and L.J. Saethre
%T The C{_6}H{_6}-(H{_2}O){_2} complex. Theoretical predictions
of the structure, energetics and tunneling dynamics
%A Jon M. Sorenson, Jonathon K. Gregory, and David C. Clary
%T Spatial distribution of N{_2} and NO desorbing from a Rh(533) surface
%A M. Ikai, N.M.H. Janssen, B.E. Nieuwenhuys, and K. Tanaka
%T Theoretical investigation of structural and
thermodynamic properties of lanthanum carbides LaC{_n} (n=2-6)
%A S. Roszak and K. Balasubramanian
%T Theory of desorption induced by electron transitions.
A time-independent quantum mechanical approach
%A Tamar Seideman
%T Inner-shell excitation of monocyanoethylene, trans-dicyanoethylene and
allylcyanide by electron energy loss spectroscopy
%A M.-J. Hubin-Franskin, H. Aouni, D. Duflot,
F. Motte-Tollet, C. Hannay, L.F. Ferreira, and G. Tourillon
%T A new intermolecular potential for hydrazine clusters.
Structures and spectra
%A T.A. Beu, U. Buck, J.G. Siebers, and R.J. Wheatley
%T On the heats of formation of trifluoromethyl
radical, CF{_3} and its cation, CF{_3}{^+}
%A Robert L. Asher and Branko Ruscic
%T On the 'direct' calculation of thermal rate constants. II. The flux-flux
autocorrelation function with absorbing potentials, with application
to the O + HCl --> OH + Cl reaction
%A Ward H. Thompson and William H. Miller
%T Vector and scalar correlations in statistical
dissociation. The photodissociation of NCCN at 193 nm
%A Simon W. North and Gregory E. Hall
%T Theoretical prediction of the spin-orbit splitting
in NCO, NCS, HCCO and HCCS radicals
%A Petre G. Szalay and Jean-Philippe Blaudeau
%T Comparative study of partially coherent anti-Stokes Raman scattering
(PCARS) and Rayleigh scattering - concentration and
temperature dependence of scattered intensities
%A Taka-aki Ishibashi and Hiro-o Hamaguchi
%T Quantum mechanical exchange in a transition metal hydride complex.
NMR data for [cp(PPh{_3})IrH{_3}]{^+} fitted by a two-dimensional model
%A Ch. Scheurer, R. Wiedenbruch, R. Meyer, R.R. Ernst, and D.M. Heinekey
%T Calculation of two-center integrals involving a
rapidly oscillating free electron wave function
%A S.S. Op de Beek, J.P.J. Driessen, H.C.W. Beijerinck, and B.J. Verhaar
%T Calorimetric heats for CO and oxygen absorption
and for the catalytic CO oxidation reaction on Pt{111}
%A Y.Y. Yeo, L. Vattuone, and D.A. King
%T 193 nm laser photofragmentation time-of-flight
mass spectrometric study of dimethylsulfoxide
%A H.-Q. Zhao, Y.-S. Cheung, D.P. Heck, C.Y. Ng, T. Tetzlaff, and W.S. Jenks
%T Diazasiline (SiNN). Is there a conflict between experiment and theory?
%A Fernando R. Ornellas, Leonardo T. Ueno, and Suehiro Iwata
%T A finitely extensible network strand model with
non-linear backbone forces and entanglement kinetics
%A Kevin R. Geurts and Lewis E. Wedgewood
%T Instantaneous normal mode theory of quantum time
correlation functions. Raman spectrum of liquid CS{_2}
%A T. Keyes
%T Comment on: Diffusional spinning as a probe of DNA fragments conformation
%A J. Michael Schurr, Bryant S. Fujimoto, Annabelle Reese, Bruce H. Robinson
and Stuart A. Allison
%T Microphase separation of diblock copolymer induced by directional quenching
%A Hongdong Zhang, Jianwen Zhang, Yuliang Yang, and Xuedong Zhou
%T Influence of hydrodynamic flow on nucleated wetting
%A Bruce M. Law and Hyuk K. Pak
%T Monte Carlo simulations of the adsorption of
amphiphilic oligomers at hydrophobic interfaces
%A Christopher M. Wijmans and Per Linse
%T Surface layers overlap and effective adhesion in reverse micelles.
A discussion from the adhesive spheres mixture model
%A S. Amokrane and C. Regnaut
%T Statistical thermodynamics of end-attached chain monolayers
%A Buqiang Li and Eli Ruckenstein
%T Mode-coupling theory of the slow dynamics of polymeric liquids. Fractal
macromolecular architectures
%A Matthias Fuchs and Kenneth S. Schweizer
%T Molecular dynamics simulation studies of
the density profiles of water between (9-3) Lennard-Jones walls
%A E. Spohr
%T A Gibbs ensemble Monte Carlo study of phase coexistence in model C{_60}
%A C. Caccamo, D. Costa, and A. Fucile
%T Non linear optical and vibrational properties of
conjugated polyaromatic molecules
%A Mariacristina Rumi, Giuseppe Zerbi, Klaus Mullen, G. Muller, and
Matthias Rehahn
%T Atomic stress isobaric scaling for systems subjected to holonomic
constraints
%A S. Melchionna and G. Ciccotti
%T Site-site pair correlation functions of water from 25{^o}C to 400{^o}C.
Revised analysis of new and old diffraction data
%A A.K. Soper, F. Bruni, and M.A. Ricci
%T Quantum energy gap law of outer-sphere electron
transfer reactions. A molecular dynamics study on aqueous solution
%A Koji Ando
%T Layering in a two-component liquid system undergoing a phase separation
%A A. Hamraoui, M. Privat, and H. Sellami
%T Mode coupling theory for calculating the memory functions of flexible
chain molecules. Influence on the long time dynamics of oligoglycines
%A Konstantin S. Kostov and Karl F. Freed
%T Effectiveness of non-equilibrium closures
for the many body forces in concentrated colloidal dispersions
%A R.A. Lionberger and W.B. Russel
%T Tracing the phase-boundaries of hard spherocylinders
%A Peter Bolhuis and Daan Frenkel
%T An H-theorem for the Enskog equation of a binary
mixture of dissimilar hard spheres
%A Patricia Goldstein and L.S. Garcia-Colin
%T Hysteresis loss in liquids
%A Alexei Vazquez Vazquez and Oscar Sotolongo Costa