Journal of Chemical Physics
1998, V108, N5, 01 Feb.
%T An empirical valence bond model for proton transfer in water
%A Diane E.Sagnella and Mark E.Tuckerman
%T Quantum localization and dynamical tunneling of
quasi-separatrix wavefunctions for molecular vibration
%A Naoyuki Hashimoto and Kazuo Takatsuka
%T The spectrum of arsenic hydride. An ab initio configuration
interaction study employing a relativistic effective core potential
%A Aleksey B.Alekseyev, Heinz-Peter Liebermann, Gerhard Hirsch,
and Robert J.Buenker
%T Intensities of infrared transitions in the two-dimensional
algebraic model
%A S.Oss and M.Abbouti Temsamani
%T The role of a molecular phase in two-pathway excitation schemes
%A Tamar Seideman
%T High-resolution infrared spectrum and energy levels of the
weakly-bound complex, CO-paraH{_2}
%A A.R.W.McKellar
%T Nature of the power-dependent ultrafast relaxation process of
photoexcited charge carriers in II-VI semiconductor quantum dots.
Effects of particle size, surface, and electronic structure
%A Trevor W.Roberti, Nerine J.Cherepy, and Jin Z.Zhang
%T Theoretical study on potential energy surface of C{_2}N{_2}
%A Y.H.Ding, X.R.Huang, Z.S.Li, and C.C.Sun
%T Ab initio model potential embedded-cluster study
of the ground and lowest excited states of Cr{^3+}
defects in the elpasolites Cs{_2}NaYCl{_6} and Cs{_2}NaYBr{_6}
%A Abdalla Al-Abdalla, Zoila Barandiaran, Luis Seijo, and Roland Lindh
%T The collisional deactivation of highly vibrationally excited
pyrazine by a bath of carbon dioxide. Excitation of the infrared
inactive (10{^0}O), (02{^0}O) and (02{^2}0) bath vibrational modes
%A Chris A.Michaels, Amy S.Mullin, Jeugnhee Park, James Z.Chou,
and George W.Flynn
%T A hybrid classical/quantum approach to cluster fragmentation
dynamics. Application to the vibrational predissociation of
He{_2}Cl{_2}
%A M.I.Hernandez, A.Garcia-Vela, C.Garcia-Rizo, N.Halberstadt,
P.Villarreal, and G.Delgado-Barrio
%T Rapidly convergent iteration methods for quantum
optimal control of population
%A Wusheng Zhu, Jair Botina, and Herschel Rabitz
%T Static and dynamic polarizability calculations for the polyyne
series (C{_2n}H{_2}) with extrapolation to the infinite chain
%A Erik K.Dalskov, Jens Oddershede, and David M.Bishop
%T High resolution spectroscopy of 4-fluorostyrene-rare gas
van der Waals complexes. Results and comparisons with theoretical
calculations
%A N.M.Latkin, G.Pietraperzia, M.Becucci, E.Castellucci, M.Coreno,
A.Giardini-Guidoni, and A.van der Avoird
%T Momentum distributions and molecular property information for trans
1,3 butadiene. An electron momentum spectroscopy and density
functional theory investigation
%A M.J.Brunger, D.A.Winkler, M.T.Michalewicz, and E.Weigold
%T A laser photolysis/time-resolved Fourier transform infrared
emission study of OH(X{^~ 2}{PI}, v) produced
in the reaction of alkyl radicals with O({^3}P)
%A Jorg Lindner, Richard A.Loomis, Jody J.Klaassen,
and Stephen R.Leone
%T Ab initio calculations of radiationless transitions
between excited and ground singlet electronic states of ethylene
%A M.Hayashi, A.M.Mebel, K.K.Liang, and S.H.Lin
%T Electron-ion coincidence measurements. The neutral dissociation
plus excitation cross section for N{_2}
%A L.Mi and R.A.Bonham
%T Electron-ion coincidence measurements. The neutral dissociation
cross section for CF{_4}
%A L.Mi and R.A.Bonham
%T Molecular beam study of gateway-coupling
N{_2}(C{^3}{PI}{_u}/a' {^1}{SIGMA}{_u} and chemical
quenching of the metastable N{_2}(a') state
%A Ch.Ottinger and G.Shen
%T The effects of vibrational resonances on Renner-Teller coupling in
triatomic molecules. The stretch-bender approach
%A Geoffrey Duxbury, Barry D.McDonald, Marcel Van Gogh,
Alexander Alijah, and Christian Jungen
%T Stretch-bender calculations of the effects of orbital angular
momentum and vibrational resonances in the spectrum of singlet
methylene
%A Geoffrey Duxbury, Alexander Alijah, Barry D.McDonald,
and Christian Jungen
%T Vibrational relaxation in infrared excited
SF{_6}.Ar{_n}{^+} cluster ions
%A S.Atrill and A.J.Stace
%T Dissociative recombination and excitation of N{_2}{^+}.
Cross sections and product branching ratios
%A J.R.Peterson, A.Le Padellec, H.Danared, G.H.Dunn, M.Larsson,
A.Larson, R.Peverall, C.Stromholm, S.Rosen, M.af Ugglas,
and W.J.van der Zande
%T Surface and bulk diffusion of HDO on ultrathin
single-crystal ice multilayers on Ru(001)
%A Frank E.Livingston, Galen C.Whipple, and Steven M.George
%T Double-resonance spectroscopy of the high Rydberg states of HCO II.
Mode specificity in the dynamics of vibrational autoionization via
CO-stretch versus bend
%A Eric E.Mayer, Hartmut G.Hedderich, and Edward R.Grant
%T Erratum: Electronic absorption spectra of carbon
chain anions C{_2n}- (n=4-7) in neon matrices
[J.Chem.Phys.107, 4468 (1997)]
%A Patrick Freivogel, Michel Grutter, Daniel Forney, and John P.Maier
%T Electron correlation and relativistic contributions to dipole
moments of heavy oxides and sulfides: SnO, PbO, SnS, and PbS
%A Vladimir Kello, Andrzej J.Sadlej, and Knut Faegri, Jr.
%T The hindering of the inversion motion in the van der Waals
aniline-Ar{_n} clusters. An adiabatic molecular dynamics
simulation for n = 1-3
%A Pascal Parneix and Philippe Brechignac
%T Phase-modulated nutation nuclear quadrupole resonance spectroscopy
%A F.Vaca Chavez, F.Casanova, H.Robert, and D.Pusiol
%T Kinetic theory of band shapes in molecular spectra
of gases. Application to band wings
%A N.N.Filippov and M.V.Tonkov
%T A time-independent theory of photodissociation
based on polynomial propagation
%A Hua Guo
%T Deutron spin-lattice relaxation times in D{_2}-Ar mixtures.
A combined experimental and theoretical study
%A Hassan Sabzyan, William P.Power, and Frederick R.W.McCourt
%T Study of the low-lying states of NiO{^-} and NiO
using anion photoelectron spectroscopy
%A Vicki D.Moravee and Caroline Chick Jarrold
%T Inhomogeneous broadening of electronic spectra in
organic model systems
%A Peter Geissinger, Bryan E.Kohler, Serguei G.Kulikov,
and Victor Terpougov
%T Organic gas/surface interaction. Fraction
({gamma} value) of the kinetic energy used for ionization
%A Hiroshi Kishi and Toshihiro Fujii
%T Dynamics of self-assembled surfactant systems
%A Friedrich K.von Gottberg, Kenneth A.Smith, and T.Alan Hatton
%T Inversion of absorption spectral data for relaxation matrix
determination. II. Application to Q-branch line-mixing in HCN,
C{_2}H{_2} and N{_2}O
%A Robert Boyd, Tak-San Ho, and Herschel Rabitz
%T A quantum molecular dynamics study of the properties of
NO{^+}(H{_2}O){_n} clusters
%A Ling Ye and Hai-Ping Cheng
%T Impurity solvation in a liquid
%A Riina Tehver, Milton W.Cole, Amos Maritan,
Joel Koplik, and Jayanth R.Banavar
%T Molecular dynamics simulation of the diffusion of
n-butane and i-butane in silicalite
%A A.Bouyermaouen and A.Bellemans
%T Computer simulation studies of liquid crystals. A new Corner
potential for cylindrically symmetric particles
%A Habtamu Zewdie
%T Chain dynamics in entangled polymers. Power laws of the proton and
deuteron spin-lattice relaxation dispersions
%A R.Kimmich, N.Fatkullin, R.-O.Seitter, and K.Gille
%T Phase diagrams of polymer dispersed liquid crystals
%A Akihiko Matsuyama and Tadaya Kato
%T A model of relaxation in supercooled polymer melts
%A Roger F.Loring
%T Molecular dynamics simulation of gas mixtures in porous media.
I. Adsorption
%A Xiaohua Yi, Jaleh Ghassemzadeh, Katherine S.Shing,
and Muhammad Sahimi
%T Dynamics of sodium ions in NaClO{_4} complexed in
poly(propylene-oxide). A {^23}NA nuclear magnetic resonance study
%A S.H.Chung, K.R.Jeffrey, and J.R.Stevens
%T Stochastic potential for a periodically forced nonlinear oscillator
%A William Vance and John Ross
%T Spectral random walks and line broadening of impurity molecules in
an Ising spin glass environment
%A Yoshitaka Tanimura, Hiroshi Takano, and Joseph Klafter
%T High pressure studies of the rhodium-hydrogen system
in diamond anvil cell
%A Marek Tkacz
%T A model of a local dielectric constant in proteins
%A Dieter Voges and Andrej Karshikoff
%T Vibrational dephasing mechanisms in liquids and
glasses. Vibrational echo experiments
%A K.D.Rector and M.D.Fayer
%T A study of genetic algorithm approaches to global geometry
optimization of aromatic hydrocarbon microclusters
%A Ronald P.White, J.A.Niesse, and Howard R.Mayne
%T Mutual diffusion in binary systems
%A Raman Sharma and K.Tankeshwar
%T The effect of chain stiffness on the phase
behaviour of isolated homopolymers
%A Jonathan P.K.Doye, Richard P.Sear, and Daan Frenkel
%T Local interactions and protein folding. A model
study on the square and triangular lattices
%A Anders Irbaeck and Erik Sandelin