Journal of Chemical Physics
1998, V108, N7, 15 Feb
%T Energetics and geometries of carbon nanoconic tips
%A Jie Han and Richard Jaffe
%T The adsorption of sulfur on Rh(111) and Cu/Rh(111) surfaces
%A Jose A.Rodriguez, Sanjay Chaturvedi, and Mark Kuhn
%T Fully relativistic density functional calculations
of the ground and excited states of Yb, YbH, YbF and YbO
%A Wenjian Liu, Michael Dolg, and Lemin Li
%T Photodissociation spectroscopy of the Ca{^+}-N{_2} complex
%A S.H.Pullins, J.E.Reddie, M.R.France, and M.A.Duncan
%T Vibrational state control of bimolecular reactions
%A Christoph Kreher, Jan Leo Rinnenthal, and Karl-Heinz Gericke
%T CO dissociation characteristics of size-
distributed rhodium islands on alumina model substrates
%A S.Andersson, M.Frank, A.Sandell, J.Libuda, A.Giertz, B.Brena,
P.A.Bruhwiler, M.Baumer, N.Martensson, and H.-J.Freund
%T The kinkiness of cumulenones. H{_2}C{_3}O, H{_2}C{_4}O,
and H{_2}C{_5}O
%A Allan L.L.East
%T Comparing quantum and classical dynamics. H{_2} dissociation on
W(100)
%A M.Kay, G.R.Darling, and S.Holloway
%T Raman spectroscopy of supersonic jets of CO{_2}. Density,
condensation, and translational, rotational, and vibrational
temperatures
%A B.Mate, G.Tejeda, and S.Montero
%T Photodissociation studies on nitrosyl bromide. I.
Photofragment spectroscopy and electronic structure
%A Hans-Peter Loock and Charles X.W.Qian
%T Extended series expansions for random sequential adsorption
%A Chee Kwan Gan and Jian-Sheng Wang
%T Broadband dipolar recoupling in the NMR of
rotating solids. A compensated C7 pulse sequence
%A M.Hohwy, H.J.Jakobsen, M.Eden, M.H.Levitt, and N.C.Nielsen
%T A new quantum transition state theory
%A Eli Pollak and Jielou Liao
%T Critical parameters for the helium-like atoms.
A phenomenlogical renormalization study
%A Juan Pablo Neirotti, Pablo Serra, and Sabre Kais
%T Ab initio molecular orbital study of the trichlorine radical,
Cl{_3}
%A A.L.Kaledin, M.C.Heaven, W.G.Lawrence, Q.Cui, J.E.Stevens,
and K.Morokuma
%T Integral-direct coupled cluster calculations of frequency-dependent
polarizabilities, transition probabilities and excited-state
properties
%A Ove Christiansen, Asger Halkier, Henrik Koch, Poul Jorgensen,
and Trygve Helgaker
%T Two-pulse coherent control of electronic
branching in Li{_2} photodissociation
%A Dmitri G.Abrashkevich, Moshe Shapiro, and Paul Brumer
%T The desorption of molecular hydrogen from Si(100)-2x1
and Si(111)-7x7 surfaces at low coverages
%A Michael C.Flowers, Neville B.H.Jonathan, Alan Morris,
and Steven Wright
%T Monte Carlo study of core-valence separation schemes
%A Viktor N.Staroverov, Peter Langfelder, and Stuart M.Rothstein
%T State-to-state vibrational energy transfer in S{_1}
p-difluorobenzene at intermediate state
densities. A change in propensity rules
%A Mudjijono and Warren D.Lawrance
%T The benzene-argon complex. A ground and excited
state ab initio study
%A Henrik Koch, Berta Fernandez, and Ove Christiansen
%T An analytical representation of the ground potential energy surface
({^2}A') of the H + Cl{_2} --> HCl + Cl and Cl + HCl --> HCl + Cl
reactions, based on ab initio calculations
%A Miguel Gonzalez, J.Hijazo, J.J.Novoa, and R.Sayos
%T Temporal coherent control in the photoionization
of Cs{_2}. Theory and experiment
%A Valerie Blanchet, Mohamed Aziz Bouchene, and Bertrand Girard
%T Using quantum rotational polarization moments to describe the
stereodynamics of the H + D{_2}(v=0,j=0) --> HD(v',j') + D
reaction
%A Marcelo P.de Miranda, David C.Clary,
Jesus F.Castillo, and David M.Manolopoulos
%T Adsorption of potassium and oxygen on graphite. A theoretical lstudy
%A D.Lamoen and B.N.J.Persson
%T Hexapole-selected supersonic beams of reactive
radicals. CF{_3}, SiF{_3}, SH, CH and C{_2}H
%A Michael A.Weibel, Toby D.Hain, and Thomas J.Curtiss
%T Bonding and structure of Y{_3}C{_2} and Y{_3}C{_2}{^+}
%A Dong-Sheng Yang, Marek Z.Zgierski, and Peter A.Hackett
%T Charge inversion in electric double layers and
effects of different sizes for counterions and coions
%A Hans Greberg and Roland Kjellander
%T Polymer translocation induced by adsorption
%A P.J.Park and W.Sung
%T Characterization of four phase transitions in Pb{_5}Al{_3}F{_19},
including a new transition at 670 K, by impedance and NMr
spectroscopy
%A Mohamed El Omari, Jean-Maurice Reau, Jean Senegas, Jean Ravez,
S.C.Abrahams, Abdellah Nadiri, and Abdelmajid Yacoubi
%T Structural and transport properties of
(Bi,Pb){_4}Sr{_3}Ca{_3}Cu{_4-m}Fe{_m}O{_x} (m=0-0.06) glasses.
Precursors for high T{_c} superconductors
%A S.Chatterjee, S.Bhattacharya, and B.K.Chaudhuri
%T Translational diffusion of small and large mesoscopic probes in
hydroxypropylcellulose-water in the solutionlike regime
%A Kiril A.Streletzky and George D.J.Phillies
%T The vibrational frequency of nitrogen near the fluid-solid
transition in the pure substance and in mixtures
%A J.P.J.Michels, M.E.Kooi, and J.A.Schouten
%T Two-photon fluorescence: Resonance energy transfer
%A Philip Allcock and David L.Andrews
%T Kinetic model of coupled nonequilibrium condensation
and radiative excitation of water molecules
%A A.L.Itkin
%T Generalized molecular mechanics including quantum electronic
structure variation of polar solvents. I. Theoretical formulation
via a truncated adiabatic basis set description
%A Badry D.Bursulaya and Hyung J.Kim
%T Generalized molecular mechanics including quantum
electronic structure variation of polar solvents.
II. A molecular dynamics simulation study of water
%A Badry D.Bursulaya, Jonggu Jeon, Dominic A.Zichi, and Hyung J.Kim
%T The interfacial thickness of symmetric diblock copolymers.
Theory and experiment
%A John D.McCoy, Shyamal K.Nath, John G.Curro, and Randall S.Saunders
%T Molecular dynamics simulation of water diffusion
in atactic and amorphous isotactic polypropylene
%A Mitsuhiro Fukuda and Satoru Kuwajima
%T Measurement of the Raman spectrum of liquid water
%A David M.Carey and Gerald M.Korenowski
%T Quantum harmonic transition state theory. Application to
isomerization of stilbene in liquid ethane
%A Gidon Gershinsky and Eli Pollak
%T Can a single function for {chi} account for
block copolymer and homopolymer blend phase behavior?
%A Wayne W.Maurer, Frank S.Bates, Timothy P.Lodge, Kristoffer Almdal,
Kell Mortensen, and Glenn H.Fredrickson
%T Comparison of theoretical methods for resonant vibration-vibration
energy transfer in liquids
%A Frank A.Dodaro and Michael F.Herman
%T Phase transitions in layer structured (C{_10}H{_21}NH{_3}){_2}
SnCl{_6}
%A K.W.Lee, M.W.Park, C.Rhee
Cheol Eui Lee, J.K.Kang, K.-W.Kim K.-S.Lee