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