Journal of Chemical Physics
15 Dec 1997, V107, N23.
%T Comment on: Heterogeneous two-dimensional nucleation and growth
kinetics
%A Jon Nelson
%T Reply to the Comment on: Heterogeneous two-dimensional nucleation
and growth kinetics
%A X.Y.Liu and K.Tsukamoto
%T Rotational energy transfer of CH in the B(v=O) state by collisions
with Ar and N{_2}O using time-resolved Fourier transform
spectrometer
%A Chaung-Chi Wang, Thou-Long Chin, and King-Chuen Lin
%T Electronic spectroscopy and molecular structure
of jet-cooled diphenylamine and diphenylamine derivatives
%A I.V.Tretiakov and J.R.Cable
%T Quantum study of the Li + HF --> LiF + H reaction
%A Alfredo Aguado, Miguel Paniagua, Manuel Lara, and Octavio Rovcero
%T Erratum: The effects of internal constraints on
the configurations of chain molecules
[J.Chem.Phys.92(5), 3118-3135 (1990)]
%A Hue Sun Chan and Ken A.Dill
%T HCO (N, K{_a}, K{_c}, J) distributions from near-threshold
photolysis of H{_2}CO (J, K{_a}, K{_c})
%A Andrew C.Terentis, Siobhan E.Waugh, Gregory F.Metha,
and Scott H.Kable
%T Electron-electron coalescence and counterbalance
densities for atoms in Hartree-Fock theory
%A Toshikatsu Koga and Hisashi Matsuyama
%T Direct determination of localized Hartree-Fock
orbitals as a step toward N scalng procedures
%A Jaime Rubio, Angels Povill, Jean Paul Malrieu, and Peter Reinhardt
%T Dissociative chemisorption of methane on Ir(111). Evidence for
direct and trapping-mediated mechanisms
%A D.C.Seets, C.T.Reeves, B.A.Ferguson, M.C.Wheeler, and C.B.Mullins
%T Photodissociation of C{_2}H at 193 nm. Branching
ratios for the formation of C{_2} in the X{^1}{SIGMA}{^+}{_g},
A {^1}{PI}{_u}, and B' {^1}{SIGMA}{^+}{_g} states
%A Osman Sorkhabi, Victor M.Blunt, Hua Lin, Dadong Xu, Jacek Wrobel,
Roosevelt Price, and William M.Jackson
%T Nanostructured silicon films obtained by neutral cluster
depositions
%A P.Melinon, P.Keghelian, B.Prevel, A.Perez, G.Guiraud, J.LeBrusq,
J.Lerme, M.Pellarin, and M.Broyer
%T Accurate relativistic effective potentials for
the sixth-row main group elements
%A S.A.Wildman, G.A.DiLabio, and P.A.Christiansen
%T Dynamics of lipid bilayers from comparative analysis of {^2}H
and {^13}C NMR relaxation data as a function of frequency
and temperature
%A Alexander A.Nevzorov and Michael F.Brown
%T Rotational analysis of the B{^~}{^2}A" - X{^~}{^2}A"
origin band of the CH{_2}CFO radical
%A Scott A.Wright and Paul J.Dagdigian
%T A complete active space valence bond method
with nonorthogonal orbitals
%A Kimihiko Hirao, Haruyuki Nakano, and Kenichi Nakayama
%T Assessment of complete basis set methods for
calculations of enthalpies of formation
%A Larry A.Curtiss, Krishnan Raghavachari, Paul C.Redfern,
and Boris B.Stefanov
%T The hyperpolarizability of trans-butadiene revisited
%A Bernard Kirtman, Joseph L.Toto, Curt Breneman, Celso P.de Melo,
and David M.Bishop
%T Determination of reaction geometries
%A Karl-Heinz Gericke, Christoph Kreher, and Ernst Albrecht Reinsch
%T Rotational energy analysis for rotating-vibrating linear molecules
in classical trajectory simulation
%A Sang Tae Park, Jeong Hee Moon, and Myung Soo Kim
%T Giant lifetimes of optically excited states and
the elusive structure of sodiumnitroprusside
%A B.Delley, J.Schefer, and Th.Woike
%T Ab initio MO studies of neutral and anionic SiC{_n}
clusters (n=2-5)
%A Motoki Gomei, Reiko Kishi, Atsushi Nakajima, Suehiro Iwata,
and Koji Kaya
%T Theoretical study of the Coulombic explosion in
doubly charged Xe clusters
%A Demosthenes C.Athanasopoulos and Kevin E.Schmidt
%T The simulation of outgoing-wave boundary conditions via
a symmetrically-damped, Hermitian Hamiltonian operator
%A Hua-Gen Yu and Sean C.Smith
%T Density functional crystal orbital study on the
normal vibrations of polyacetylene and polymethineimine
%A So Hirata and Suehiro Iwata
%T Femtosecond time-resolved two-photon ionization spectrsocopy
of K{_2}
%A H.Schwoerer, R.Pausch, M.Heid, V.Engel, and W.Kiefer
%T Influence of chaos on the ionization induced fragmentation
dynamics of van der Waals clusters
%A M.E.Garcia, D.Reichard, and K.H.Bennemann
%T Artificial neural network applied for predicting rainbow
trajectories in atomic and molecular classical collisions
%A A.P.Braga, J.P.Braga, and J.C.Belchior
%T Periodic boundary conditions and the fast multipole method
%A Matt Challacombe, Chris White, and Martin Head-Gordon
%T The growth mechanism of (-Cu-O-) strings on a
Ag(110) surface studied by scanning tunneling
microscopy, x-ray photoelectron spectroscopy
and high resolution electron energy loss spectroscopy
%A Yuji Matsumota, Kuzuyuki Sakamoto, Yuji Okawa, Shozo Suto,
and Ken-ichi Tanaka
%T Excitation energies from density functional perturbation theory
%A Claudia Filippi, C.J.Umrigar, and Xavier Gonze
%T Evidence of rotational autoionization in the threshold region of
the photoionization spectrum of CH{_3}
%A Maritoni Litorja and Branko Ruscic
%T Geometric and electronic structures of silicon-sodium binary
clusters. II. Photoelectron spectroscopy of Si{_n}Na{_m}-cluster
anions
%A Reiko Kishi, Hiroshi Kawamata, Yuichi Negishi,
Suehiro Iwata, Atsushi Nakajima, and Koji Kaya
%T Geometric and electronic properties of small
vanadium clusters. A density functional study
%A Henrik Gronbeck and Arne Rosen
%T The picosecond timescale relaxation of photoexcited
quaterphenyl in solution
%A P.Matousek, A.W.Parker, W.T.Toner, and M.Towrie
%T Comparison between molecular geometry and harmonic vibrational
frequency predictions from CISD[TQ] and CISDTQ wavefunctions for
hydrogen sulfide
%A Brian C.Hoffman, C.David Sherril, and Henry F.Schaefer III
%T Spin-restricted Brueckner orbitals for coupled-cluster
wavefunctions
%A T.Daniel Crawford, Timothy J.Lee, Nicholas C.Handy,
and Henry F.Schaefer
%T Influence of exciton-exciton interaction on
one-to-two exciton transitions in molecular
aggregates with linear and circular geometries
%A Gediminas Juzeliunas and Peter Reineker
%T Chebyshev expansion methods for electronic structure calculations
on large molecular systems
%A Roi Baer and Martin Head-Gordon
%T The Gibbs-Thomson effect and intergranular melting
in ice emulsions. Interpreting the anomalous heat
capacity and volume of supercooled water
%A G.P.Johari
%T Effects of a quantum-mechanically driven two-state gating mode on
the diffusion-influenced bimolecular reactions
%A Younjoon Jung, Changbong Hyeon, Seokmin Shin, and Sangyoub Lee
%T Long-time tail effect of the velocity correlation
on diffusion-controlled reactions
%A W.Dong
%T Temperature dependence of vibrational lifetimes
at the critical density in supercritical mixtures
%A D.J.Myers, R.S.Urdahl, Binny J.Cherayil, and M.D.Fayer
%T Angular distribution functions and specific
local structures in liquid water
%A Alberto De Santis and Dario Rocca
%T Computer simulations of liquid HF by a newly
developed polarizable potential model
%A Pal Jedlovszky and Renzo Vallauri
%T Rotational conformational energetics of stiff aromatic polymides.
Effects of exchange repulsions, dipole-moiety interactions,
and {pi}-conjugations
%A Chunzhi Cui, Seung Joo Cho, Kwang S.Kim, Christoph Baehr,
and Jin Chul Jung
%T Shear behavior of squalane and tetracosane under extreme
confinement. I. Model, simulation method, and interfacial slip
%A S.A.Gupta, H.D.Cochran, and P.T.Cummings
%T Shear behavior of squalane and tetracosane under extreme
confinement. II. Confined film structure
%A S.A.Gupta, H.D.Cochran, and P.T.Cummings
%T Shear behavior of squalane and tetracosane under extreme
confinement. III. Effect of confinement on viscosity
%A S.A.Gupta, H.D.Cochran, and P.T.Cummings
%T Concentration dependence of static chain properties
2, off-lattice Monte Carlo simulations
%A Oskar Friedrich Olaj, Thomas Petrik, and Gerhard Zifferer
%T A free-energy landscape model for primary relaxation in
glass-forming liquids. Rotations and dynamic heterogeneities
%A Gregor Diezemann
%T Electro-deposition of polymer chains on an
adsorbing wall. Density profiles and wall coverage
%A Grace M.Foo and R.B.Pandey
%T Penetration depth of photomobilized F atoms in
Ar layers from a sandwich experiment
%A C.Bressler, M.Dickgie{beta}er, and N.Schwentner
%T Comparative study of wormlike polymer solutions using
statistical mechanics, two-parameter theory and blob theory
%A Anastasios Dondos
spectroscopies in isotropic media
%A Robert L.Murry and John T.Fourkas
%T A structural model for associated liquid
ethanol developed from transient spectroscopy
%A R.Laenen and C.Rauscher
%T Scattering functions for multicomponent mixtures of charged hard
spheres, including the polydisperse limit. Analytic expressions
in the mean spherical approximation
%A Domenico Gazzillo, Achille Giacometti, and Flavio Carsughi
%T Structure and phase diagram of mixtures
of hard spheres in the limit of infinite size ratio
%A Carlos Vega
%T Stochastic theory of combined radiative and nonradiative transport
%A Mario N.Berberan-Santos, Eduardo J.Nunes Pereira,
and Jose M.G.Martinho
%T Phase diagrams of scalemic mixtures. A Monte Carlo simulation study
%A Margot J.Vlot, J.Cornelis van Miltenburg,
Harry A.J.Oonk, and Jan P.van der Eerden
%T Equilibrium thermodynamics of homopolymers and clusters. Molecular
dynamics and Monte Carlo simulations of systems with square-well
interactions
%A Yaoqi Zhou, Martin Karplus, John M.Wichert and Carol K.Hall
%T Electron paramagnetic resonance study of the concentration of
spin-label molecules in hydrated glass pores
%A P.Cevc, C.Choi, R.Holly, and M.M.Pintar