Journal of Chemical Physics
01 Oct 1996, V105, N13.
%T The lower C{_2v} potential energy surfaces of the doublet states of
H{_2}O{^+}. A computational study
%A F. Schneider, F. Di Giacomo, and F.A. Gianturco
%T Quasiclassical trajectory study of the H+D{_2} --> HD+D reaction at
a collision energy of 2.2 eV. A comparison with experimental results
%A F.J. Aoiz, L. Banares, and V.J. Herrero
%T Electronic spectroscopy of jet-cooled benzylidenecyclobutane,
a sterically hindered styrene
%A V.P. Manea and J.R. Cable
%T Symmetrized shape oscillation in structure of {^6}Li{_7}
clusters observed by molecular beam ESR
%A Naoshi Hishinuma
%T Spectroscopy of mass-selected niobium trimers in argon matrices
%A Huaiming Wang, Robert Craig, Hanae Haouari, Yifei Liu, John R. Lombardi,
and D.M. Lindsay
%T High-nuclearity mixed valence magnetic clusters.
A general solution of the double-exchange problem
%A J.J. Borras-Almenar, J.M. Clemente, E. Coronado, A.V. Palii,
B.S. Tsukerblat, and R. Georges
%T An ab initio study of the internal conversion rate from the first singlet
excited state to the ground state in formaldehyde
%A Tohru Nakajima and Shigeki Kato
%T Classical and quantal calculations for the Penning ionization system
N{_2} + He{^*}(2{^3}S) --> N{^+}{_2} + He+e{^-}
%A Toshimasa Ishida and Katsuyuki Horime
%T ESR studies of the titanium cation (Ti{^+}, 3d{^3}, {^4}F)
in rare gas matrices at 4 K. A crystal field interpretation
%A Lon B. Knight, Jr., Keith A. Keller, Robert M. Babb, and Michael D. Morse
%T Vibronic structure in the low-lying singlet-triplet
transitions of benzene and toluene
%A P. Swiderek, M. Michaud, and L. Sanche
%T Vibrational spectroscopy of small water complexes
embedded in large liquid helium clusters
%A Ralf Frochtenicht, Michael Kaloudis, Martin Koch, and Friedrich Huisken
%N 011637JCP
%N A6.06.040
%T Tunneling dynamics in water tetramer and pentamer
%A Jonathon K. Gregory and David C. Clary
%T Sub-Doppler Zeeman spectroscopy of pyrazine;
S{_1} {^1}B{_3u} - S{_o} {^1}A{_g} O{^0}{_0} band
%A Norimasa Yamamoto, Tsuyoshi Ebi, and Masaaki Baba
%T Vibration-rotation excitation of CO by hot
hydrogen atoms. Comparison of two potential energy surfaces
%A Sheldon Green, Hans-Martin Keller, Reinhard Schinke,
and Hans-Joachim Werner
%T Second order Epstein-Nesbet correction to
"dynamic" configuration interaction energies
%A A.O. Mitrushenkov
%T A relativistic Kohn-Sham density functional procedure by
means of direct perturbation theory. II. Application
to the molecular structure and bond dissociation energies
of transition metal carbonyls and related complexes
%A Christoph van Wullen
%T Cluster formation in sputtering. A molecular
dynamics study using the MD/MC-corrected effective medium potential
%A A. Wucher and B.J. Garrison
%T Na{_x}Au and Cs{_x}Au bimetal clusters. Finite size
analogs of sodium-gold and cesium-gold compounds
%A Ueli Heiz, Arthur Vayloyan, Ernst Schumacker,
Chahan Yeretzian, Mauro Stener, Philip Gisdakis, and Notker Rosch
%T Theory of ultrafast laser control of isomerization reactions in an
environment. Picosecond cope rearrangement of substituted semibullvalenes
%A M.V. Korolkov, J. Manz, and G.K. Paramonov
%T The high pressure range of the reaction of CH ({^2}{PI}) with N{_2}
%A D. Fulle and H. Hippler
%T Cluster size determination from diffractive He atom scattering
%A Udo Buck and Reinhard Krohne
%T Geometries and energy separations of 28 electronic states of Ge{_5}
%A Dingguo Dai and K. Balasubramanian
%T Photoelectron spectroscopy of silicon-fluorine
binary cluster anions (Si{_n}F{_m}{^-})
%A Hiroshi Kawamata, Yuichi Negishi, Reiko Kishi,
Suehiro Iwata, Atsushi Nakajime, and Koji Kaya
%T State-to-state differential cross sections for rota-
tionally inelastic collisions of NO({^2}{PI}{_1/2},j=0.5) with
Ar at kinetic energies between 117 cm{^-1} and 1694 cm{^-1}
%A Steven D. Jons, Jeffrey E. Shirley,
Matthew T. Vonk, Clayton F. Giese, and W. Ronald Gentry
%T Ab initio calculation of hydrogen abstraction
energetics from silicon hydrides
%A Easwar Srinivasan, Hong Yang, and Gregory N. Parsons
%T Laser excitation spectroscopy of the
B{^1}{SIGMA}{^+}{_u} (O{^+}{_u}) <-- a{^3}{PI}{_g} (O{^+}{_g}) transition
of Cd{_2}: Vibrational analysis and rotational structure
%A H.C. Tran and J.G. Eden
%T Vibrationally mediated photodissociation of isocyanic acid (HNCO):
Preferential N-H bond fission by excitation of the reaction coordinate
%A Steven S. Brown, Ricardo B. Metz, H. Laine Berghout, and F. Fleming Crim
%T Vibrational enhancement of the charge transfer
rate constant of N{_2}{^+}(v=0-4) with Kr at thermal energies
%A Shuji Kato, Joost A. deGouw, Chii-Dong Lin
Veronica M. Bierbaum, and Stephen R. Leone
%T Accurate quantum-chemical calculations: The use of Gaussian-type geminal
functions in the treatment of electron correlation
%A B. Joakim Persson and Peter R. Taylor
%T Fourier transform infrared and theoretical isotopic study of the
{nu}{_4}({sigma}{_u}) and {nu}{_5}({sigma}{_u}) modes of linear C{_7}
%A R.H. Kranze, C.M.L. Rittby, and W.R.M. Graham
%T Accurate relativistic energies of one- and two-
electron systems using Gaussian wavefunctions
%A Wojciech Cencek and Werner Kutzelnigg
%T Resonant two-photon ionization spectra of the
van der Waals complexes: C{_6}H{_5}X...N{_2} (X=F, Cl, Br)
%A Yihua Hu, Wenyun Lu, and Shihe Yang
%T Theoretical studies of the structure and dynamics of metal/hydrogen
systems. Diffusion and path integral Monte Carlo investigations of nickel
and palladium clusters
%A B. Chen, M.A. Gomez, M. Sehl, and J.D. Doll
%T Theoretical calculation of photodetachment intensities for H{_3}O
%A Ward H. Thompson, Hans O. Karlsson, and William H. Miller
%T A microscopic frictional theory for reactions in
condensed phases. Influence of nonlinear couplings
%A Masataka Nagaoka, Naoto Yoshida, and Tokio Yamabe
%T On the pair approximation method in a nonreactive catalytic system
%A Joaquin Cortes, Heinrich Puschmann, and Eliana Valencia
%T Influence of hydrodynamic interactions on the ballistic deposition
of colloidal particles on solid surfaces
%A I. Pagonabarraga, P. Wojtaszczyk, M. Rubi, B. Senger, J.-C. Voegel,
and P. Schaaf
%T Scaling behavior of diffusion limited
annihilation reactions on random media
%A Edler L. de Albuquerque and Marcelo L. Lyra
%T Grafted polymer brushes in polymeric matrices
%A Gary S. Grest
%T Molecular orientational vibrations and thermodynamics
in monolayers of chain molecules
%A Zhenghao Wang and Changde Gong
%T Hydrodynamic- and viscosity-radius expansion factors of polymer chains
with excluded volume. Monte Carlo methods
%A Takenao Yoshizaki and Hiromi Yamakawa
%T Rogers-Young approximation for the concentration profile of a colloidal
suspension in front of a highly repulsive wall
%A P. Gonzalez-Mozuelos and J. Alejandre
%T Decoupling of lithium and proton self-diffusion in supercooled
LiCl:7H{_2}O. A NMR study using ultrahigh magnetic field gradients
%A Thorsten Feiweier, Olaf Isfort, Burkhard Geil, Franz Fujara,
and Hermann Weingartner
%T Nonlinear effects of number density of solvent
molecules on solvation dynamics
%A Akira Yoshimori
%T Solvent dynamics - modified RRKM theory. II. Vibrationally assisted case
%A R.A. Marcus
%T Examining the influence of the [Zn(H{_2}O){_6}]{^2+}
geometry change on the Monte Carlo simulations of Zn{^2+} in water
%A Enrique Sanchez Marcos, Jose M. Martinez, and Rafael R. Papalardo
%T The calculation of electrostatic potentials for
periodic charge distributions
%A Elijah Johnson
%T A continuum rod model of sequence-dependent DNA structure
%A Robert S. Manning, John H. Maddocks, and Jason D. Kahn