Journal of Chemical Physics
08 Feb 1997, V106, N2.
%T A multi-configurational time-dependent Hartree approach to the direct
calculation of thermal rate constants
%A Frank Matzkies and Uwe Manthe
%T The structure and stability of B{_n}H{^+} clusters
%A Alessandra Ricca and Charles W.Bauschlicher, Jr.
%T Stabilization of localized states in dissipative tunneling systems
interacting with monochromatic fields
%A Nancy Makri
%T A density functional theory estimation of the heat of formation for FOOC1
%A Branko S.Jursic
%T O{_2} transient trapping-desorption at the Ag(111) surface
%A Age Raukema, David A.Butler, and Aart W.Kleyn
%T Optical detection of yttrium dicarbide, a "T-shaped" molecule
%A T.C.Steimle, A.J.Marr, J.Xin, A.J.Merer, K.Athanassenas, and D.Gillett
%T Adsorption of water on Si(100)-(2x1). A study with density functional
theory
%A Robert Konecny and D.J.Doren
%T Bounds on spin dynamics and the design of multiplepulse-NMR experiments
%A Colan E.Hughes and Stephen Wimperis
%T Calculation of ionization energies, electron affinities,
electronegativities and hardnesses using density functional methods
%A Frank De Proft and Paul Geerlings
%T An adiabatic exponential perturbation theory for rotationally inelastic
scattering
%A E.Curotto and R.J.Cross
%T One dimensional nutation nuclear quadrupole resonance spectroscopy for
measurement of the electric field gradient tensor-asymmetry parameter
%A H.Robert and D.Pusiol
%T Density functional calculations for Mg{_n}{^+} clusters
%A Ernest R.Davidson and Regina R.Frey
%T Femtosecond site-selective probing of energy relaxing excitons in
poly(phenylenevinylene) - luminescence dynamics and lifetime spectra
%A R.Kersting, B.Mollay, M.Rusch, J.Wenisch, G.Leising, and H.F.Kauffmann
%T Magneto-infrared spectra of matrix-isolated NiH and NiH{_2} molecules and
theoretical calculations of the lowest electronic states of NiH{_2}
%A S.Li, R.J.Van Zee, W.Weltner, Jr., M.G.Cory, and M.C.Zerner
%T Photodissociation of binary metal metallocarbohedrenes
%A B.D.May, S.E.Kooi, B.J.Toleno, and A.W.Castleman, Jr.
%T Spectroscopic characterization of the {^3}{DELTA}(4d), {^3}{PI}(4d),
{^3}{SIGMA}{^+}(4d), and {^3}{PI}(5p) Rydberg states of the MgAr
van der Waals molecule
%A Steven Massick and W.H.Breckenridge
%T Collision-induced double transition effects in the 3{nu}{_3}CO{_2} band
wing region
%A N.N.Filippov, J.-P.Bouanich, C.Boulet, M.V.Tonkov, R.Le Doucen,
and F.Thibault
%T Millimeter-wave spectroscopy of FeF (X{^6}{DELTA}{_i}). Rotational
analysis and bonding study
%A M.D.Allen and L.M.Ziurys
%T Scattering dynamics in HF + He, Ne, and Ar. State-to-state cross sections,
Dopplerimetry, and alignment measurement via direct infrared
laser absorption in crossed supersonic jets
%A William B.Chapman, Miles J.Weida, and David J.Nesbitt
%T Molecular beam optical Zeeman spectroscopy of iridium mononitride
%A T.C.Steimle, A.J.Marr, S.A.Beaton, and J.M.Brown
%T NaK D{^1}{PI} electric dipole moment measurement by Stark level crossing
and e-f mixing spectroscopy
%A M.Tamanis, M.Auzinsh, I.Klincare, O.Nikolayeva, A.V.Stolyarov,
and R.Ferber
%T Spectroscopy of mass-selected rhodium dimers in argon matrices
%A Huaiming Wang, Hanae Haouari, Robert Craig, Yifei Liu, John R.Lombardi,
and D.M.Lindsay
%T Spectroscopy of ionic alkali rare gas excimers in matrices
%A S.Moeller and P.Gurtler
%T Resonant ion-dip infrared spectroscopy of benzene(methanol){_m} clusters
with m=1-6
%A R.Nathaniel Pribble, Fred Hagemeister, and Timothy S.Zwier
%T A fast algorithm for evaluating multidimensional potential energy surfaces
%A Timothy Hollebeek, Tak-San Ho, and Herschel Rabitz
%T Spectroscopy and ultrafast dynamics of the 2A{_1} state of Z-hexatriene
in gas phase
%A W.Fu{beta}, T.Schikarski, W.E.Schmid, S.Trushin, P.Hering, and K.L.Kompa
%T Time-resolved infrared diode laser spectroscopy of the {nu}{_1} band of
the iron carbonyl radical (FeCO) produced by the UV photolysis
of Fe(CO){_5}
%A Keiichi Tanaka, Kouichi Sakaguchi, and Takehiko Tanaka
%T Electronic structure of vanadium cluster anions
as studied by photoelectron spectroscopy
%A Masako Iseda, Tetsuya Nishio, Sang Yun Han, Hiroyuki Yoshida,
Akira Terasaki, and Tamotsu Kondow
%T Kinetics of superstructure formation in block copolymers
%A S.Vakulenko, A.Vilesov, B.Stuehn, and S.Frenkel
%T Solvation and reorganization energies in polarizable molecular and
continuum solvents
%A Joel S.Bader, Christian M.Cortis, and B.J.Berne
%T Statistical associating fluid theory for chain molecules with attractive
potentials of variable range
%A Alejandro Gil-Villegas, Amparo Galindo, Paul J.Whitehead, Stuart J.Mills,
George Jackson, and Andrew N.Burgess
%T Constant pressure simulations of lattice gas models
%A Peter Pendzig, Wolfgang Dieterich, and Abraham Nitzan
%T Interaction potentials and diffusion coefficients between sodium and
rare gases
%A P.Li and K.T.Tang
%T Freezing/melting phenomena for Lennard-Jones methane in slit pores.
A Monte Carlo study
%A Minoru Miyahara and Keith E.Gubbins
%T Equilibrium properties of polyampholytes in electric fields
%A Roland G.Winkler and Peter Reineker
%T Block copolymer microstructures in the intermediate-segregation regime
%A M.W.Matsen and F.S.Bates
%T Mobility of atomic hydrogen in solid krypton and xenon
%A J.Eberlein and Martin Creuzburg
%T The influence of image interactions on the structure of water and
electrolytes in front of a metal surface
%A A.Kramer, M.Vossen, and F.Forstmann
%T A Monte Carlo simulation study of the temperature dependence for the
conformation distribution of 1,2-dimethoxyethane in water
%A Ola Engkvist and Gunnar Karlstrom
%T Spinodal decomposition under shear flow
%A Paz Padilla and Soren Toxvaerd
%T A dynamic Monte Carlo algorithm for exploration of dense conformational
spaces in heteropolymers
%A R.Ramakrishnan, Bala Ramachandran, and J.F.Pekny
%T Ultrafast dielectric relaxation response of polar liquids
%A L.F.del Castillo, L.A.Davalos-Orozco, and L.S.Garcia-Colin
%T Rate statistics and thermodynamic analogies for relaxation processes in
systems with static disorder. Application to stretched exponential
%A Marcel O.Vlad, David L.Huber, and John Ross
%T Ion solvation dynamics in binary mixtures
%A Tyler J.F.Day and G.N.Patey
%T Symmetric diblock copolymers under large amplitude oscillatory shear flow:
Dual frequency experiments
%A Yuanming Zhang and Ulrich Wiesner
%T Toward the theory of the electron affinity of large dielectric clusters.
Quantum size correction
%A I.T.Iakubov and V.V.Pogosov
%T Exact enumeration of all conformations of a heteropolymer chain in a
prescribed, noncompact volume
%A J.Mai, I.M.Sokolov, and A.Blumen
%T Concentration and frequency-dependent trapping of reactive polymers
%A Glenn H.Fredrickson
%T Superradiance of polaritons. Crossover from 2D to 3D crystals
%A V.M.Agranovich, D.M.Basko, and O.A.Dubovsky
%T Dynamics of poly(oxyethylene) melts. Comparison of {^13}C NMR spin-lattice
relaxation and dielectric relaxation as determined from simulations and
experiments
%A Grant D.Smith, Do Y.Yoon, Charles G.Wade, Russell Lewis,
and Richard L.Jaffe
%T Long-time behavior of the diffusion-controlled A + B --> 0 reaction with
hopping energy relaxation
%A S.D.Baranovskii, F.Hensel, J.E.Golub, and P.Thomas
%T A variational approach to nonlocal exciton-phonon coupling
%A Yang Zhao, David W.Brown, and Katja Lindenberg
%T Time-frequency theory of pump-probe absorption spectroscopy
%A YiJing Yan, Weimin Zhang, and Jianwei Che