Journal of Chemical Physics
1997, V106, N20. 22 May
%T Density functional theory with approximate kinetic
energy functionals applied to hydrogen bonds
%A Tomasz Adam Wesolowski
%T Doppler-free two-photon absorption spectroscopy of the
A{^1}A{_u} <-- X{^1}A{_g} transition of trans-glyoxal
%A Hajime Kato, Takuya Oonishi, Kiyoshi Nishizawa,
Shunji Kasahara, and Masaaki Baba
%T Vibrational spectra of hexa-atomic silicon-carbon clusters.
I. Linear SiC{_4}Si
%A J.D.Presilla-Marquez, C.M.L.Rittby, and W.R.M.Graham
%T Absolute HCO concentration measusrements in
methane/air flame using intracavity laser spectroscopy
%A Vladimir A.Lozovsky, Sergey Cheskis,
Alexander Kachanov, and Frederic Stoeckel
%T An ab initio study of the reaction mechanism of Co{^+} + NH{_3}
%A Tetsuya Taketsugu and Mark S.Gordon
%T Absorption, resonance Raman and Raman excitation
spectra of hafnium trimers
%A Huaiming Wang, Zhendong Hu, Hanae Haouari, Robert Craig,
Yifei Liu, John R.Lombardi, and D.M.Lindsay
%T Quantum dissipative dynamics of adsorbates near metal surfaces.
A surrogate Hamiltonian theory applied to hydrogen on nickel
%A Roi Baer and Ronnie Kosloff
%T Broadening of CH{_3}F in presence of Stark fields.
I-self-broadening and self-shifting of isolated components
%A V.Lemaire, L.Dore, G.Cazzoli, G.Buffa, O.Tarrini, and S.Belli
%T Compositional control of rovibrational wave packets
in the E({^1}{SIGMA}{_g}{^+}) "shelf" state of Li{_2} via
quantum-state-resolved intermediate state selection
%A Richard M.Williams, John M.Papanikolas, Jacob Rathje, and Stephen R.Leone
%T Fully coupled 6D calculations of the water dimer
vibration-rotation-tunneling states with a split
Wigner pseudo-spectral approach
%A Claude Leforestier
%T Time domain modeling of spectral collapse in high
density molecular gases
%A Christoph J.Meinrenken, Walter D.Gillespie,
Sergey Macheret, Walter R.Lempert, and Richard B.Miles
%T Vibrations, coverage, and lateral order of atomic
nitrogen and formation of NH{_3} on Ru(10{^-}0)
%A H.Dietrich, K.Jacobi, and G.Ertl
%T Electric field-gradient contributions to the
chemical shifts of liquid water
%A Thomas M.Nymand and Per-Olof Astrand
%T Wavelength and intensity dependent transient degenerate
four wave mixing in pseudoisocyanine J-aggregates
%A R.Gadonas, K.-H.Feller, A.Pugzlys,
G.Jonusauskas, J.Oberle, and C.Rulliere
%T Density functional study of polypropylene and its submolecules
%A A.Borrmann, B.Montanari, and R.O.Jones
%T Reaction on the O{^-} + CH{_4} potential energy surface.
Dependence on translational and internal energy
and on isotopic composition, 93 - 1313 K
%A A.A.Viggiano, R.A.Morris, T.M.Miller, J.F.Friedman,
M.Menedez-Barreto, J.F.Paulson, H.H.Michels,
R.H.Hobbs, and J.A.Montgomery, Jr.
%T The hypermagnetizability of molecular oxygen
%A Dan Jonsson, Patrick Norman, Olav Vahtras,
Hans Agren, and Antonio Rizzo
%T Comment on: Concerning the applicability of density
functional methods to atomic and molecular negative ions
%A Notker Rosch and S.B.Trickey
%T Erratum: Hyperfine structures of the {^7}Li{_2} b{^3}{PI}{_u},
2{^3}{PI}{_g}, and 3{^3}{PI}{_g} states. Continuous wave
perturbation facilitated optica-optical double resonance
spectroscopy [J.Chem.Phys.105, 6192 (1996)]
%A Li Li, A.Yiannopoulou, K.Urbanski, A.M.Lyyra,
B.Ji, W.C.Stwalley, and T.An
%T Intrinsic resonance representation of quantum mechanics
%A M.Carioli, E.J.Heller, and K.B.Moller
%T Inhomogeneous and single molecule line broadening
of terrylene in a series of crystalline n-alkanes
%A Martin Vacha, Yi Liu, Hiroki Nakatsuka, and Toshiro Tani
%T Dibromine monoxide, Br{_2}O. The rotational spectrum
and molecular properties
%A Holger S.P.Muller and Edward A.Cohen
%T A quasiclassical trajectory study of H + CO{_2}. Angular and
translational distributions, and OH angular momentum alignment
%A Kimberly S.Bradley and George C.Schatz
%T Energy transfer processes in organized media.
II. Generalization of the crystal model for
for dipole-dipole interactions in cubic sites
%A Sergio O.Vasquez
%T Dipole and quadrupole plasmon resonances in large
sodium clusters observed in scattered light
%A K.Kolwas, S.Demianiuk, and M.Kolwas
%T Electronic excitation transfer in Lennard-Jones fluid.
Comparison between approaches based on molecular dynamics
simulation and the many-body Smoluchowski equation
%A T.Bandyopadhyay
%T Proton-coupled electron transfer reactions in solution.
Molecular dynamics with quantum transitions for model systems
%A Jian-Yun Fang and Sharon Hammes-Schiffer
%T Two-component plasma in a gravitational field
%A Gabriel Tellez
%T Precrystallization structures in supersaturated
lysozyme solutions studied by dynamic light
scattering and scanning force microscopy
%A Achim Schaper, Yannis Georgalis, Patrick Umbach,
Jannis Raptis, and Wolfram Saenger
%T Self-diffusion in single-file pores of finite length
%A J.M.D.MacElroy and S.-H.Suh