Journal of Chemical Physics, 2000, V 112, N 6, Feb 8.
ISSN 0021-9606
TE Characterization of dynamical product-state distributions by
spectral extended crossorrelation: Vibrational dynamics in the
photofragmentation of NH{_2}D and ND{_2}H
AU Jonathan P.Reid, Richard A.Loomis, and Stephen R.Leone
TE Erratum: Coupled cluster theory for high spin, open shell
reference wave functions [J. Chem. Phys. 99, 5219 (1993)]
AU Peter J.Knowles, Claudia Hampel, and Hans-Joachim Werner
TE Ionization and fragmentation of C{_60} with sub-50fs laser pulses
AU M.Tchaplyguine, K.Hoffmann, O.Duhr, H.Hohmann, G.Korn, H.Rottke,
M.Wittman, I.V.Hertel, and E.E.B.Campbell
TE Quantum-phase and information-entropy dynamics of a two-state
molecular system interaction with strongly amplitude- and
phase-squeezed fields
AU Masayoshi Nakano and Kizashi Yamaguchi
TE Systematic study of foreign-atom-doped fullerenes by using a
nuclear recoil method and their MD simulation
AU Tsutomu Ohtsuki, Kaoru Ohno, Keiichiro Shi Yoshiyuki Kawazoe,
Yutaka Maruyama, and Kazuyoshi Masumoto
TE On phase factors and geometric phases in isotopes of H{_3}: A
line integral study
AU ZongRong Xu, Michael Baer, and Antonio J.C.Varandas
TE Multicanonical jump walk annealing: An efficient method for
geometric optimization
AU Huafeng Xu and B.J.Berne
TE The binding of CO to nickel clusters. I. Deterination of
saturation coverages
AU E.K.Parks, K.P.Kerns, and S.J.Riley
TE The binding of CO to nickel clusters. II. Strucural implications
and comparisons with electron counting rules
AU K.P.Kerns, E.K.Parks, and S.J.Riley
TE Double-resonance spectroscopy of autoionizing states of ammonia
AU C.A.Raptis, J.A.Bacon, and S.T.Pratt
TE Vibrational coordinates and their gradients - A geometric
algebra approach
AU Janne Pesonen
TE Acetone n-radical cation internal rotation spectrum. The
torsional potential surface
AU Dana A.Shea, Lionel Goodman, and Michael G.White
TE Photoinitiated H{_2}CO unimolecular decomposition: Accessing H +
HCO products via S{_0} and T {_1} pathways
AU L.R.Valachovic, M.F.Tuchler, M.Dulligan, Th.Droz-Georget,
M.Zyrianov, A.Kolessov, H.Reisler, and C.Wittig
TE Time-resolved LMR study of deactivation of Cl({^2}P{_1/2})
AU A.I.Chichinin
TE On the origin of the dip in the KrF laser gain spectrum. II. The
short-pulse gain saturation experiment
AU V.V.Datsyuk, C.J.Hooker, E.J.Divall, G.J.Hirst, I.N.Ross,
J.M.D.Lister, K.Osvay
TE High-resolution rotational coherence spectroscopy of
para-cyclohexylaniline
AU Christoph Riehn, Andreas Weichert, Uwe Lommatzsch,
Marcus Zimmermann, and Bernhard Brutschy
TE Three-dimensional quantum reactive scattering calcuations for
the nonadiabatic (D+H{_2}){^+} reaction system
AU Toshiyuki Takayanagi, Yuzuru Kurosaki, and Akira Ichihara
TE The effect of cluster formation on mass separation in binary
molecular beams
AU Wei Li, M.J.Stirniman, and S.J.Sibener
TE Spectroscopic characterization of pure and cationtabilized
sodium phosphate
AU R.S.Cole and Roger Frech
TE Intramonomer correlation contributions to firstrder exchange
nonadditivity in trimers
AU Paul E.S.Wormer, Robert Moszynski, and Ad van der Avoird
TE An ab initio cluster study of the structure of the Si(001)
surface
AU James Shoemaker, Larry W.Burggraf, and Mark S.Gordon
TE A theoretical study of the {^1}B{_2u} and {^1}B{_1u} vibronic
bands in benzene
AU Anders Bernhardsson, Niclas Forsberg, Per-Ake Malmqvist,
Bjorn O.Roos, and Luis Serrano-Andres
TE Optimal orbitals from energy fluctuations in correlated wave
functions
AU Claudia Filippi and Stephen Fahy
TE Electrostatically driven electronic molecular bistability. Ab
initio calculation for a moel (LiF){_n} system
AU Anna Jagielska and Lucjan Piela
TE Spin-orbit effects on the transactinide p-block element
monohydrides MH(M=element 113 ~ 118)
AU Young-Kyu Han, Cheolbeom Bae, Sang-Kil Son, and Yoon Sup Lee
TE Electronic structure and dynamics of O({^3}P)+ CO({^1}{1/2}{^+})
collisions
AU M.Braunstein and J.W.Duff
TE The electronic structure and spectroscopy of V{_2}
AU Ted A.O'Brien, Katrin Albert, and Michael C.Zerner
TE An ab initio study of spectroscopy and predissoiation of ClO
AU A.Toniolo, M.Persico, and D.Petea
TE Lennard-Jones binary mixture: A thermodynamical approach to
glass transition
AU Barbara Coluzzi, Giorgio Parisi, and Paolo Verrocchio
TE Structural and thermodynamic properties of freelyointed
hard-sphere rings and chains
AU C.-T.Lin, G.Stell, and Yu.V.Kalyuzhnyi
TE Protein dynamics at low temperatures
AU J.Schlichter, J.Friedrich, L.Herenyi, and J.Fidy
TE Adsorption of critical and supercritical fluids
AU S.B.Kiselev, J.F.Ely, and M.Yu.Belyakov
TE Shear-induced changes of the potential energy landscape
underlying n-butane liquids and glasses
AU Mignon M.Frey and Daniel J.Lacks
TE Quantum mechanical canonical rate theory: A new approach based
on the reactive flux and numerical analytic continuation methods
AU Eran Rabani, Goran Krilov, and B.J.Berne
TE Crystallization of a Yukawa fluid via a modified weighted
density approximation with a solid refeence state
AU Dean C.Wang and Alice P.Gast
TE A two-dimensional model of water: Theory and computer simulations
AU T.Urbic, V.Vlachy, Yu.V.Kalyuzhnyi, N.T.Southall, and K.A.Dill
TE Elastic molecular dynamics with self-consistent flexible
constraints
AU Jin Zhou, Sebastian Reich, and Bernard R.Brooks
TE Steady state response of the nonlinear dilectric relaxation and
birefringence in strong superimposed ac and dc bias electric
fields: Polar and polarizable molecules
AU J.L.Dejardin and Yu.P.Kalmykov
TE Rigidity constants from mean-field models
AU S.M.Oversteegen and E.M.Blokhuis
TE Pulse radiolysis studies on charge carriers in conjugated
polymers
AU H.D.Burrows, M.da G.Miguel, A.P.Monkman, L.E.Horsburgh,
I.Hamblett, and S.Navaratnam
TE Tracer diffusion of polyorganosiloxane nanoparticles in
solution. Effects of tracer topology and particle concentration
AU Christina Graf, Wolfgang Schaertl, Michael Maskos,
and Manfred Schmidt
TE Diffusion and surface reaction in random fibrous media
AU William Strieder
TE Parallel wave-packet simulations of electron transission through
water
AU Uri Peskin, Ake Edlund, and Ilan Bar-On
TE Dephasing of an anharmonic vibration in solution
AU Ryan B.Williams and Roger F.Loring
TE Femtosecond fluorescence upconversion studies of barrierless
bond twisting of auramine in solution
AU M.J.van der Meer, H.Zhang, and M.Glasbeek
TE Phase transitions in alloy clusters physically adsorbed on model
surfaces
AU Mayra Ocasio and Gustavo E.Lopez
TE Mechanisms of phase transitions in sodium clusters: From
molecular to bulk behavior
AU F.Calvo and F.Spiegelmann
TE DNA-linked metal nanosphere materials: Fourier transform
solutions for the optical response
AU Anne A.Lazarides and George C.Schatz
TE Molecular dynamics study of diffusion in bidisperse polymer melts
AU Sandra Barsky
TE Spin dynamics study in doped polyaniline by continuous wave and
pulsed electron paramagnetic resonance
AU C.J.Magon, R.R.de Souza, A.J.Costa-Filho, E.A.Vidoto, R.M.Faria,
and O.R.Nascimento
TE Self-consistent fluid variational theory for presure
dissociation in dense hydrogen
AU Hauke Juranek and Ronald Redmer
TE Topologically induced glass transition in dense polymer systems
AU Matthias Rosche, Roland G.Winkler, Peter Reineker,
and Michael Schulz
TE Comment on recent NMR experiments on polymer melts
AU Michael F.Herman
TE An interesting ligand for the preparation of luminescent
plastics. The picrate ion
AU V.de Zea Bermudez, L.D.Carlos, M.M.Silva, and M.J.Smith
TE Intramolecular energy-band dispersion in oriented thin films of
n-CF{_3}(CF{_2}){_22}CF{_3} observed by angleesolved
photoemission with synchrotron radiation
AU Takayuki Miyamae, Shinji Hasegawa, Daisuke Yoshimura,
Hisao Ishii, Nobuo Ueno, and Kazuhiko Seki
TE Stability of bicontinuous cubic phases in ternary amphiphilic
systems with spontaneous curvature
AU U.S.Schwarz and G.Gompper
TE Equilibria and kinetics of polydisperse mixture adsorption
AU Carolyn B.Olson and Julian Talbot
TE Thermal excitation of rotation of the methyl group in
chemisorbed acetate on Cu(110)
AU J.-G.Lee, J.Ahner, D.Mocuta, S.Denev, and J.T.Yates
TE Calculation of the cadmium-water interface
AU David L.Price
TE Collision induced desorption by "hot" atoms: Desorption of
O{_2} from Ag(110)
AU Yehuda Zeiri