Journal of Chemical Physics
1997, V106, N14, 08 Apr
%T Calculated thermodynamics of reactions involving
NO{_2}{^+}{^.}X complexes (where X=H{_2}O, N{_2} and CO{_2})
%A Andrew M.Bush, John M.Dyke, and Timothy G.Wright
%T The UV photolysis of acetyl and propionyl radicals studied by
infrared emission spectroscopy
%A Hongzhi Li, Qiang Li, Wentao Mao, Qihe Zhu, and Fanao Kong
%T Satellite hole investigation of energy transfer
between two different dyes
%A Ching-Tung Kuo and Ta-Chau Chang
%T A collaborative theoretical and experimental study of the structure
and electronic excitation spectrum of the B Ar and B Ar{_2} complexes
%A Millard H.Alexander, Andrew R.Walton, Moonbong Yang, Xin Yang,
Eunsook Hwang, and Paul J.Dagdigian
%T On cluster embedding schemes based on orbital space partitioning
%A Ulrich Gutdeutsch, Uwe Birkenheuer, Sven Kruger, and Notker Rosch
%T The mobilities of ions and cluster ions drifting in polar gases
%A Joost A.de Gouw, M.Krishnamurthy, and Stephen R.Leone
%T Operator-splitting integrators for constant-temperature molecular dynamics
%A Fei Zhang
%T The ground and first excited singlet state torsional potentials
of 2-phenylindole from supersonic jet fluorescence spectra
%A Wayne E.Sinclair, Haiping Yu, David Phillips, and J.M.Hollas
%T Spectroscopy and predissociation dynamics of the A{^~1}A" state of HNO
%A Jonathan Pearson, Andrew J.Orr-Ewing, Michael N.R.Ashfold,
and Richard N.Dixon
%T Effect of temperature on the IR and SFG spectra of adsorbates
%A W.-K.Liu, M.Hayashi, J.-C.Lin, H.-C.Chang, S.H.Lin, and J.-K.Wang
%T Scattering-angle resolved product rotational alignment for
the reaction of Cl with vibrationally excited methane
%A A.J.Orr-Ewing, W.R.Simpson, T.P.Rakitzis, S.A.Kandel, and R.N.Zare
%T A quasiclassical trajectory study of product
state distributions from the CN + H{_2} --> HCN + H reaction
%A G.A.Bethardy, Albert F.Wagner, George C.Schatz, and Marc A.ter Horst
%T A matrix isolation FT-IR and quasirelativistic density functional theory
investigation of the reaction products of laser-ablated uranium atoms
with NO, NO{_2} and N{_2}O
%A Gary P.Kushto, Philip F.Souter, Lester Andrews, and Matthew Neurock
%T Hydrated proton clusters.Ab initio molecular
dynamics simulation and simulated annealing
%A Dongqing Wei and D.R.Salahub
%T Magnetic shielding surface in molecules. Neutron
as a probe in the hyptetical magnetic resonance spectroscopy
%A Krzysztof Wolinski
%T Erratum: Electronic dephasing of APT in glassy
films of water from 59 to 100 K. Implications for H-bonding liquids
[J.Chem.Phys.104(3), 793 (1996)]
%A T.Reinot, W.-H.Kim, J.M.Hayes, and G.J.Small
%T A new method for excited states. Similarity
transformed equation of motion theory (STEOM)
%A Marcel Nooijen and Rodney J.Bartlett
%T Similarity transformed equation of motion coupled cluster (STEOM-CC)
study of ionized, attached and excited states of free base porphin
%A Marcel Nooijen and Rodney J.Bartlett
%T Approximate factorization of molecular potential surfaces.
I. Basic approach
%A D.Madsen and M.Gruebele
%T Structure and IR-spectrum calculations for small UF{_6} clusters
%A T.A.Beu, J.Onoe, and K.Takeuchi
%T Comment on: Ab initio investigation of internal
rotation in the ethylene-sulfur dioxide dimer
%A J.A.Sordo
%T Simulation of many-spin system dynamics via sparse matrix methodology
%A Randall S.Dumont, Shashi Jain, and Alex Bain
%T E-V energy transfer between Rb(5{^2}P{_j}) and H{_2}
%A Man-Lin Chen, Wei-Chou Lin, and Wei-Tzou Luh
%T Nonequilibrium fluctuation theory in electrochemical
nucleation. I. Derivation of nucleation current equations
%A Atsushi Tadano and Ryoichi Aogaki
%T Nonequilibrium fluctuation theory in electrochemical nucleation.
II. Experimental determination of critical fluctuation in silver
nucleation onto platinum electrode
%A Atsushi Tadano and Ryoichi Aogaki
%T Measurement of the splay-bend elastic constant in lyotropic ferronematic
liquid crystals. The influence of the bounding surfaces
%A S.Fontanini, A.L.Alexe-Ionescu, G.Barbero, and A.M.Figueiredo Neto
%T Nonequilibrium fluctuation theory in electrochemical nucleation.
III. Experimental determination of fluctuation growth rate in
silver nucleation onto platinum electrode
%A Atsushi Tadano and Ryoichi Aogaki
%T Heterogeneous and homogeneous dynamics in a
simulated polymer melt: analysis of multitime correlation functions
%A A.Heuer and K.Okun
%T Nonlinear electrooptical response.II.Steady
state dielectric relaxation in coupled fields
%A J.L.Dejardin, P.M.Dejardin, and Yu.P.Kalmykov
%T The role of nonadditive effect in the first solvation shell of Na{^+}
and Mg{^2+} in liquid ammonia. Monte Carlo studies including three-body
corrections
%A Supot Hannongbua
%T Space-time correlated reaction field. A stochastic
dynamical approach to the dielectric continuum
%A Ilario G.Tironi, Brock A.Luty, and Wilfred F.van Gunsteren
%T Threading dynamics of a polymer through parallel
pores. Potential applications to DNA size separation
%A Bjorn Akerman
%T A simple non-equilibrium molecular dynamics
method for calculating the thermal conductivity
%A Florian Muller-Plathe
%T Monte Carlo study of a semiflexible liquid crystal
model. The smectic phase
%A M.Mazars, D.Levesque, and J.J.Weis
%T Orientational phase transition in molecular
monolayer on an air-water interface
%A M.Jiang, Fan Zhong, D.Y.Xing, Z.D.Wang, and Jinming Dong
%T A general mixture theory.II. Mixtures of nonspherical molecules
%A Esam Z.Hamad