Journal of Chemical Physics, 1999, V 111, N 14, 8 October.
TE Polarizabilities of the rare gas homonuclear diatoms
AU Simone Ceccherini, Massimo Moraldi, and Lothar Frommhold
TE Quantum Monte Carlo study of rovibrational states utilizing
rotation wavefunctions: Application to H{_2}O
AU Paulo H.Acioli, L.S.Costa, and Frederico V.Prudente
TE Ultrafast EXAFS - theoretical considerations
AU Frank L.H.Brown, Kent R.Wilson, and Jianshu Cao
TE Vector parametrization of the N-atom problem in quantum
mechanics. III Separation into two subystems. Application to
NH{_3}
AU Fabien Gatti
TE Fully coupled 6D calculations of the ammonia
viration-inversion-tunneling states with a split Hamiltonian
pseudo-spectral approach
AU Fabien Gatti, Christophe Iung, Claude Leforestier,
and Xavier Chapuisat
TE Fine and hyperfine interactions in CrN and MoN
AU Kei-ichi C.Namiki and Timothy C.Steimle
TE Erratum on: Calculating frequency-dependent hyperolarizabilities
using time-dependent density funcional theory
[J. Chem. Phys. 109, 10644 (1998)]
AU S.J.A.van Gisbergen, J.G.Snijders, and E.J.Baerends
TE Unraveling the energy dependence in large {DELTA}E (V-->RT)
energy transfer: Separation of {DELTA}E and probability in the
collisional relaxation of highly vibrationally excited pyrazine
(E{_vib} = 36,000 cm{^-1} to 41,000 cm{^-1}) by CO{_2}
AU Mark C.Wall, Andrew E.Lemoff, and Amy S.Mullin
TE An experimental and theoretical study of the spin-orbit
interaction for CO{^+}(A{^2}{PI}{_3/2,1/2}, v{^+}=0-41) and
O{_2}{^+}(X{^2}{PI}{_3/2,1/2g}, v{^+}=0-38)
AU D.G.Fedorov, M.Evans, Y.Song, M.S.Gordon, and C.Y.Ng
TE Mass spectroscopic studies of laser ablated carbon clusters as
studied by photoionization with 10.5 eV photons under high vacuum
AU Tomonari Wakabayashi, Takamasa Momose, and Tadamasa Shida
TE Theory and analysis of sodium dimer Rydberg states observed by
all-optical triple resonance spectrocopy
AU Edward S.Chang, Jing Li, Jianming Zhang, Chin-Chun Tsai,
John Bahns, and William C.Stwalley
TE Ultrafast internal conversion and photodissociation of molecules
excited by femtosecond 155nm laser pulses
AU P.Farmanara, O.Steinkellner, M.T.Wick, M.Wittmann, G.Korn,
V.Stert, and W.Radloff
TE One-particle resonances in low-energy electron scattering from
C{_60}
AU F.A.Gianturco and Robert R.Lucchese
TE Low-energy electron scattering by H{_2}O, H{_2}S, H{_2}Se and
H{_2}Te
AU Marcio T.do N.Varella, Marcio H.F.Bettega, Marco A.P.Lima,
and Luiz G.Ferreira
TE Interpolated potential energy surface and reaction dynamics for
O({^3}P) + H{_3}{^+} ({^1}A{_1}') and OH{^+}({^3}{SIGMA}{^-}) +
H{_2}({^1}{SIGMA}{_g}{^+})
AU Ryan P.A.Bettens, Trevor A.Hansen, and Michael A.Collins
TE Resonance Raman spectroscopy of matrix-isolated mass-selected
Fe{_3} and Ag{_3}
AU T.L.Haslett, K.A.Bosnick, S.Fedrigo, and M.Moskovits
TE Vector properties of O({^3}P) and O({^1}D) in OH
photoissociation: Near-threshold resonance, neighborng
resonance, and above-threshold behavior
AU Sungyul Lee
TE Photodissociation dynamics of ethanol at 193.3 nm: The H-atom
channel and ethoxy vibrational distribuion
AU Kesheng Xu, Gabriel Amaral, and Jingsong Zhang
TE Spin echoes of nuclear magnetization diffusing in a constant
magnetic field gradient and in a restricted geometry
AU Pabitra N.Sen, Axel Andre, and Scott Axelrod
TE On the scaling of semiclassical initial value methods
AU Mark L.Brewer
TE Two-field NOESY for precise determination of proton-proton
distances and correlation times
AU Xi-An Mao, Tao Zhang, Mathias Baur, and Horst Kessler
TE Laser-induced fluorescence of the CD{_2}CFO radical
AU Satoshi Inomata, Masashi Furubayashi, Takashi Imamura,
Nobuaki Washida, and Makoto Yamaguchi
TE Determination of heat of formation of O{_3} using vacuum
ultraviolet laser-induced fluorescence spectroscopy and
two-dimensional product imaging techniques
AU Nori Taniguchi, Kenshi Takahashi, Yutaka Matsumi,
Scott M.Dylewski, Joseph D.Geiser, and Paul L.Houston
TE Dynamics of collisional alignment in supersonic expansions:
Trajectory studies of He + CO, O{_2} and CO{_2}
AU Joanna R.Fair and David J.Nesbitt
TE Exploring the spin-orbit reactivity in the simplest chlorine
atom reaction
AU Shih-Huang Lee and Kopin Liu
TE Multiple spin echo generation by gradients of the radio
frequency amplitude. Two-dimensional nutaion spectroscopy and
multiple rotary echoes
AU Rainer Kimmich, Ioan Ardelean, Yung-Ya Lin, Sangdoo Ahn,
and Warren S.Warren
TE Homogeneous nucleation rates of supercooled water measured in
single levitated microdroplets
AU B.Kramer, M.Schwell, O.Hubner, H.Vortisch, E.Ruhl, H.Baumgartel,
L.Woste, and T.Leisner
TE Microwave spectrum of the NI radical in the X {^3}{SIGMA}{^-}
ground state
AU Toru Sakamaki, Toshiaki Okabayashi, and Mitsutoshi Tanimoto
TE Spectroscopic analysis of an unusual Ca{^.}Xe[{^3}{SIGMA}{^-}]
<-- Ca(4s4p{pi}{^3}P{_0}){^.}Xe[{^3}{PI}{_0}-] transition
AU Allen W.K.Leung, D.Bellert, and W.H.Breckenridge
TE A new, fully ab initio investigation of the NO(X{^2}{PI}) Ar
system: 1. Potential energy surfaces and inlastic scattering
AU Millard H.Alexander
TE A new, fully ab initio investigation of the ArNO (X{^2}{PI})
system: 2. Bound states of the Ar-NO complex
AU Millard H.Alexander
TE A formulation and numerical approach to molecular systems by the
Green function method without the Born-Oppenheimer approximation
AU Yasuteru Shigeta, Hidemi Nagao, Kiyoshi Nishikawa,
and Kizashi Yamaguchi
TE Theory and ab initio calculations of 2p photoabsorpion spectra:
The lowest Rydberg resonances in HCl
AU Reinhold F.Fink, Mika Kivilompolo, and Helene Aksela
TE Ab-initio potential energy surfaces of He-CO{_2} and Ne-CO{_2}
van der Waals complexes
AU F.Negri, F.Ancilotto, G.Mistura, and F.Toigo
TE Emission by collisional H{_2}-He pairs at temperaures from 2 to
20 kK
AU Dominik Hammer, Lothar Frommhold, and Wilfried Meyer
TE The chemistry of superheavy elements. III. Theoretical studies
on element 113 compounds
AU Michael Seth, Peter Schwerdtfeger, and Knut Faegri
TE Rydberg transitions in X-ray absorption spectroscopy of alkanes:
The importance of matrix effects
AU K.Weiss, P.S.Bagus, and Ch.Woll
TE First principles calculations of Si doped fullerenes: Structural
and electronic localization properties in C{_59}Si and
C{_58}Si{_2}
AU I.M.L.Billas, C.Massobrio, M.Boero, M.Parrinello, W.Branz,
F.Tast, N.Malinowski, M.Heinebrodt, and T.P.Martin
TE Critical analysis of the calculated frequency shifts of
hydrogen-bonded complexes
AU B.Silvi, R.Wieczorek, Z.Latajka, M.E.Alikhani, A.Dkhissi,
and Y.Bouteiller
TE Intermolecular energy transfer in liquid water and its
contribution to heat conduction: A molecular dynamics study
AU Taku Ohara
TE Phase separation in confined polymer blends
AU R.Cherrabi, A.Saout-Elhak, M.Benhamou, and M.Daoud
TE Two novel approaches to the Kramers rate problem in the spatial
diffusion regime
AU A.N.Drozdov
TE An integral representation of isolated binary collisions in
vibrational relaxation
AU Binny J.Cherayil
TE Universal correlation between energy gap and foldbility for the
random energy model and lattice proteins
AU Nicolas E.G.Buchler and Richard A.Goldstein
TE Energy landscape of a model protein
AU Mark A.Miller and David J.Wales
TE Structure of binary hard-sphere mixtures near a hard wall: A
simple weighted-density-functional approach
AU Chandra N.Patra
TE Spatial-partitioning-based acceleration for variaional Monte
Carlo
AU Dario Bressanini and Peter J.Reynolds
TE Calorimetric indications of a cooperativity onset in the
crossover region of dynamic glass transiion for benzoin
isobutylether
AU S.Kahle, K.Schroeter, E.Hempel, and E.Donth
TE Molecular dynamics simulations of sodium chloride solutions in
water-dimethyl sulphoxide mixtures: Potentials of mean force and
solvation structures
AU Ashok K.Das and B.L.Tembe
TE A scaling approximation for structure factors in the integral
equation theory of polydisperse nononic colloidal fluids
AU Domenico Gazzillo, Achille Giacometti,
Raffaele Guido Della Valle, Elisabetta Venuti,
and Flavio Carsughi
TE Coexistence curve of polystyrene in methylcycloexane.
X. Two-phase coexistence curves for ternary solutions near the
tricritical compositions
AU Mitsuo Nakata, Toshiaki Dobashi, Yu-ichi Inakuma,
and Kiyotaka Yamamura
TE Mean field approximation for the stochastic Schroedinger equation
AU Oleg V.Prezhdo