Journal of Chemical Physics, 2000, V 112, N 8, Feb 22.

ISSN 0021-9606
TE Fine structure, alignment, and orientation of {^32}S{^16}O and
{^16}O{^18}O molecules in congruent electric and magnetic fields
AU Andreea Boca and Bretislav Friedrich

TE Calculation of nuclear spin-spin couplings. X. Analytical
derivative method of perturbation energy
AU H.Fukui, T.Baba, and Y.Kurogi

TE Vibrationally resolved photoelectron spectroscopy of the first
row transition metal and C{_3} clusters: MC{_3}{^-}(M = Sc, V,
Cr, Mn, Fe, Co, and Ni)
AU Lai-Sheng Wang and Xi Li

TE Structures and electron affinities of indole(water){_N} clusters
AU S.Carles, C.Desfrancois, J.P.Schermann, D.M.A.Smith,
and L.Adamowicz

TE The electronic spectrum of silicon methylidyne (SiCH). A
molecule with a silicon-carbon triple bond in the excited state
AU Tony C.Smith, Haiyang Li, Dennis J.Clout,
Christopher T.Kingston, and Anthony J.Merer

TE Extracting molecular axis alignment from photoelectron angular
AU Katharine L.Reid and Jonathan G.Underwood

TE Electronic transitions of C{_3}{^-} above the photodetachment
AU M.Tulej, J.Fulara, A.Sobolewski, M.Jungen, and J.P.Maier

TE Semiclassical multi-state Liouville dynamics in the adiabatic
AU Arnaldo Donoso and Craig C.Martens

TE On the long-range and short-range behavior of potentials from
RKHS interpolation
AU Pavel Soldan and Jeremy M.Hutson

TE Overtone spectroscopy of methyl C-H stretch vibration in
CH{_3}CF{_2}CI and CH{_3}CFCl{_2}
AU X.Chen, A.Melchior, I.Bar, and S.Rosenwaks

TE Theoretical and experimental investigation of pressure
broadening and line shift of carbon monoxide in collision with
hydrogen between 8 and 600 K
AU Markus Mengel, Daniel C.Flatin, and Frank C.De Lucia

TE Anisotropic Coulomb explosion of C{_60} irradiated with a
high-intensity femtosecond laser pulse
AU Junkei Kou, V.Zhakhovskii, S.Sakabe, K.Nishihara, S.Shimizu,
S.Kawato, M.Hashida, K.Shimizu, S.Bulanov, Y.Izawa, Y.Kato,
and N.Nakashima

TE Energy disposal in the O({^3}P) + HCl reaction: Classical
dynamics and comparison to experiment
AU B.Ramachandran

TE Multichannel quantum defect analysis of the double resonance
photoionization series of H{_2}O
AU M.S.Child and W.L.Glab

TE High-resolution laser spectroscopy of NO{_2} just above the X{^~
2}A{_1}-A{^~ 2}B{_2} conical intersection: Transitions of K_=1
AU C.A.Biesheuvel, J.Bulthuis, M.H.M Janssen, S.Stolte,
and J.G.Snijders

TE Density-matrix representation of nonadiabatic couplings in
time-dependent density functional (TDDFT) theories
AU Vladimir Chernyak and Shaul Mukamel

TE Electron-ion recombination in dense rare gases. Energy diffusion
theory vs. simulation
AU Mariusz Wojcik and M.Tachiya

TE Vibrationally resolved photoelectron spectra of CuCN{^-} and
AgCN{^-} and ab initio studies of the structure and bonding in
AU Alexander I.Boldyrev, Xi Li, and Lai-Sheng Wang

TE Rapidly fluctuating anisotropy parameter in the near-threshold
photodissociation of NO{_2}
AU O.L.A.Monti, H.Dickinson, S.R.Mackenzie and T.P.Softley

TE Vibrational spectra and intramolecular vibrational
redistribution in highly excited deuterobromochlorofluoromethane
CDBrClF: Experiment and theory
AU Andreas Beil, Hans Hollenstein, Oliver Monti, Martin Quack,
and Jurgen Stohner

TE Ab initio calculation and spectroscopic analysis of the
intramolecular vibrational redistribution in 1,
1,1,2-tetrafluoroiodoethane CF{_3}CHFI
AU Jorg Pochert, Martin Quack, Jurgen Stohner and Martin Willeke

TE Theoretical study of the Jahn-Teller effect in X{^~ 2}E CH{_3}O
AU U.Hoper, P.Botschwina, and H.Koppel

TE Convergent summation of Moller-Plesset perturbation theory
AU David Z.Goodson

TE Anharmonic force field, vibrational energies and barrier to
inversion of SiH{_3}{^-}
AU Kirsten Aarset, Attila G.Csaszar,
Edwin L.Sibert III Wesley D.Allen, Henry F.Schaefer III,
Wim Klopper, and Jozef Noga

TE Relativistic 4-component calculations of indirect nuclear
spin-spin couplings in XH{_4} (X=C, Si, Ge, Sn, Pb) and
AU Thomas Enevoldsen, Lucas Visscher, Trond Saue,
Hans Jorgen Aagaard Jensen, and Jens Oddershede

TE Diagrammatic complete active space perturbation theory:
Calculations on benzene, N{_2} and LiF
AU James P.Finley and Henryk A.Witek

TE MCSCF calculations of NMR spin-spin coupling constant of the HF
AU J.San Fabian, J.Casanueva, E.San Fabian, and J.Guilleme

TE Free energy calculation on enzyme reactions with an efficient
iterative procedure to determine minimum energy paths on a
combined ab initio QM/MM potential energy surface
AU Yingkai Zhang, Haiyan Liu, and Weitao Yang

TE Singlet excited states of Be{_2}
AU Magdalena Pecul, Michal Jaszunski, Helena Larsen,
and Poul Jorgensen

TE Atomic integral driven second order polarization propogator
calculations of the spectra of naphthalene and anthracene
AU Keld L.Bak, Henrik Koch, Jens Oddershede, Ove Christiansen,
and Stephen P.A.Sauer

TE Relativistic MCSCF by means of quasidegenerate direct
perturbation theory. I. Theory
AU Werner Kutzelnigg and Wenjian Liu

TE Relativistic MCSCF by means of quasidegenerate direct
perturbation theory. II. Preliminary applications
AU Wenjian Liu, Werner Kutzelnigg, and Christoph van Wullen

TE Spin-restricted open-shell coupled cluster theory for excited
AU Peter G.Szalay and Jurgen Gauss

TE The asymptotic exchange potential in Kohn-Sham theory
AU David J.Tozer

TE Comment on: Positron and positronium chemistry by quantum Monte
Carlo. IV. Can this method accurately compute observables beyond
energy [J. Chem. Phys. 111, 108 (1999)]
AU J.Mitroy and G.G.Ryzhikh

TE Reply to the Comment on: Positron and positronium chemistry by
quantum Monte Carlo. IV. Can this method accurately compute
observables beyond energy? [J. Chem. Phys. 111, 108 (1999)]
AU Massimo Mella, Gabriele Morosi, and Dario Bressani

TE Study of inhomogeneity of supercritical water by small-angle
X-ray scattering
AU Takeshi Morita, Kohei Kusano, Hiroto Ochiai, Ken-ichi Saitow,
and Keiko Nishikawa

TE Diffusion in supersaturated solutions. Application to the case
of supersaturated protein solutions
AU Alexander F.Izmailov and Allan S.Myerson

TE Molecular dynamics simulation of the homogeneous nucleation of
UF{_6} molecules: Configurations and infrared spectra of the
excited hot clusters
AU Shinobu Tanimura, Kenji Yasuoka, and Toshikazu Ebisuzaki

TE Diffusion-controlled kinetics of the helix-coil transition with
square barrier hydrogen bonds
AU Bokkyoo Jun and David L.Weaver

TE Molecular dynamics simulation of vapor nucleation in slit pore
AU K.Yasuoka, G.T.Gao and X.C.Zeng

TE Liquid-vapor coexistence by molecular dynamics simulation
AU Andras Baranyai and Peter T.Cummings

TE Temperature dependent rotational relaxation of nonpolar probes
in mono and diols: Size effects versus hydrogen bonding
AU G.B.Dutt and G.Rama Krishna

TE Rotator phases and herringbone order in Langmuir monolayers and
AU Alois Wurger

TE XANES and EXAFS studies of the valence state and coordination of
antimony in doped nanocrystalline in SnO{_2}
AU J.Rockenberger, U.zum Felde, M.Tischer, L.Troger, M.Haase,
and H.Weller

TE Surface-rheological measurements on glass forming polymers based
on the surface tension driven decay of imprinted corrugation
AU Marc Hamdorf and Diethelm Johannsmann

TE Modelling absorption and segregation of magnesium and cadmium
ions to calcite surfaces: Introducing MgCo{_3} and CdCO{_3}
potential models
AU Leeuw and S.C.Parker

TE Structure of electrorheological fluids
AU U.Dassanayake, S.Fraden, and A.van Blaaderen