Journal of Chemical Physics, 1999, V 111, N 1, 1 Jul.
TE The conical intersection effects and adiabatic single-surface
approximations on scattering processes: A time-dependent wave
packet approach
AU Satrajit Adhikari and Gert D.Billing
TE Resonant two-photon ionization spectra of van der Waals
complexes p, m, o-C{_6}H{_4}F{_2}...NH{_3} (ND{_3})
AU Yihua Hu, Xin Yang, and Shihe Yang
TE Doppler line shapes in the photolysis of laser excited, aligned
molecules: Application to the vibrationally mediated
photodissociation of HN{_3}
AU Rhett James Barnes, Amitabha Sinha, Paul J.Dagdigian,
and H.Mark Lambert
TE Intramolecular vibrational redistribution and fragmentation
dynamics of I{_2}...Ne{_n} (n = 2-6) clusters
AU S.Fernandez-Alberti, N.Halberstadt, J.A.Beswick, A.Bastida,
J.Zuniga, and A.Requena
TE Quantum mechanical cross sections for the isotopic reactions
H+X{_2}O, X=H,D: A comparison with expeiment and with other
calculations
AU Henrik Szichman, Michael Baer, H.R.Volpp, and J.Wolfrum
TE Definition and properties of the emission anisoropy in the
absenceof cylindrical symmetry of the emission field:
Application to the light quenching experiments
AU Jozef Kusba and Joseph R.Lakowicz
TE The spectroscopy and IVR dynamics of HOCl in the v{_OH}=6
region, probed by infrared-visible double resonance overtone
excitation
AU A.Callegari, J.Rebstein, J.S.Muenter, R.Jost, and T.R.Rizzo
TE State-by-state assignment of the bending spectrum of acetylene
at 15,000 cm{^-1}: A case study of quantum classical
correspondence
AU Matthew P.Jacobson, Christof Jung, Howard S.Taylor,
and Robert W.Field
TE The (X{^2}{PI}{_g}) ns{sigma}{_g} {^1,3}{PI}{_g} Rydberg states
of O{_2}: Spectra, structures and interactions
AU J.S.Morrill, M.L.Ginter, B.R.Lewis, and S.T.Gibson
TE Perturbations in the 3s{sigma}{_g} {^1,3}{PI}{_g} Rydberg states
of O{_2}: Bound-bound interactions with the second {^1}{PI}{_g}
and {^1}{DELTA}{_g} valence states
AU B.R.Lewis, S.T.Gibson, J.S.Morrill, and M.L.Ginter
TE The Hermite correction method in non-adiabatric transitions
AU Satrajit Adhikari and Gert D.Billing
TE Finite field treatment of vibrational polarizailities and
hyperpolarizabilities: On the role of the Eckart conditions,
their implementation, and their use in characterizing key
vibrations
AU Josep M.Luis, Miquel Duran, Benoit Champagne, and Bernard Kirtman
TE Third-order nonlinear optical response of energy transfer systems
AU Mino Yang and Graham R.Fleming
TE Unimolecular dissociation of NO{_2}. I. Classical trajectory and
stastistical calculations on a global potential energy surface
AU S.Yu.Grebenshchikov, C.Beck, H.Flothman, R.Schinke, and S.Kato
TE Magic numbers in transition metal (Fe, Ti, Zr, Nb, and Ta)
clusters observed by time-of-flight mass spectroscopy
AU Masaki Sakurai, Koji Watanabe, Kenji Sumiyama, and Kenji Suzuki
TE UV photodissociation of furan probed by tunable synchrotron
radiation
AU Osman Sorkhabi, Fei Qi, Abbas H.Rizvi, and Arthur G.Suits
TE Total and elastic cross sections for electron and positron
scattering from OCS molecule: A comparative study with CO{_2}
AU O.Sueoka, A.Hamada, M.Kimura, H.Tanaka, and M.Kitajima
TE Flow of zero-point energy and exploration of phase space in
classical simulations of quantum relaxtion dynamics
AU Gerhard Stock and Uwe Muller
TE Flow of zero-point energy and exploration of phase space in
classical simulations of quantum relaxaion dynamics. II.
Application to nonadiabatic processes
AU Uwe Muller and Gerhard Stock
TE Nuclear magnetic resonance lineshapes of methylike quantum
rotors in low-temperature solids
AU S.Szymanski
TE Inelastic neutron scattering spectra of the longiudinal acoustic
modes of the normal alkanes from pentane to pentacosane
AU D.A.Braden, S.F.Parker, J.Tomkinson, and B.S.Hudson
TE Energy partition of two kinds of NO molecules geneated from the
reaction of O({^1}D) with N{_2}O: Vibraional state distributions
of "new" and "old" NOs
AU Hiroshi Akagi, Yo Fujimura, and Okitsugu Kajimoto
TE Symmetry and structure of rotating H{_3}{^+}
AU I.N.Kozin, R.M.Roberts, and J.Tennyson
TE Structural information from two-dimensional fifthrder Raman
spectroscopy
AU Ko Okumura, Andrei Tokmakoff, and Yoshitaka Tanimura
TE Accurate dipole moments from Hartree-Fock calulations by means
of class IV charges
AU Jiabo Li, Jianhua Xing, Christopher J.Cramer,
and Donald G.Truhlar
TE An ab initio study on the ground and first excited electron
states of disilaketenyl radical (HSiSiO)
AU Shawn T.Brown, Yukio Yamaguchi, and Henry F.Schaefer III
TE Total energy partitioning within a one-electron formalism: A
Hamilton population study of surface-CO interaction in the
c(2x2)-CO/Ni(100) chemisorption system
AU Wingfield Glassey, Garegin Papoian, and Roald Hoffmann
TE Roles of nuclear attraction and electron repulion energies in
the relative stability of atoic LS terms
AU Toshikatsu Koga and Yoshinori Koshida
TE On the accurate theoretical determination of the static
hyperpolarizability of trans-butadiene
AU George Maroulis
TE Calculation of frequency-dependent second hyperolarizabilities
for electric field induced seond harmonic generation in the
second-order Moller-Plesset perturbation theory
AU Takao Kobayashi, Kotoku Sasagane, Fumihiko Aiga,
and Kizashi Yamaguchi
TE Positron and positronium chemistry by quantum Monte Carlo. IV.
Can this method accurately compute obervables beyond energy?
AU Massimo Mella, Gabriele Morosi, and Dario Bressanini
TE Kinetic energy conserving integrators for Gaussian thermostatted
Sllod
AU Fei Zhang, Debra J.Searles, Denis J.Evans,
Jan S.den Toom Hansen, and Dennis J.Isbister
TE Thermodynamics and structural properties of the dipolar Yukawa
fluid
AU Istvan Szalai, Douglas Henderson, Dezso Boda, and Kwong-Yu Chan
TE Diffusion on fractals with interacting internal boundaries
AU F.D.A.Aarao Reis
TE Comment on: Polymer localization in attractive random media
[J. Chem. Phys. 109, 10011 (1998)]
AU Peter Grassberger
TE Freezing in polyampholytes globules: Influence of the long-range
nature of the interaction
AU Hindrik Jan Angerman and Eugene Shakhnovich
TE Fifth order nonlinear Raman processes in molecular liquids using
quasi-cw noisy light. I. Theory
AU Jason C.Kirkwood, A.C.Albrecht and Darin J.Ulness
TE Fifth order nonlinear Raman processes in molecular liquids using
quasi-cw noisy light. II. Experiment
AU Jason C.Kirkwood, A.C.Albrecht and Darin J.Ulness
TE Disappearances of energy minima and loss of order in
polydisperse colloidal systems
AU Daniel J.Lacks and Jeffrey R.Wienhoff
TE Residual dipolar couplings by {^1}H dipolar-encoded longitudinal
magnetization, double-and tripleuantum NMR in cross-linked
elastomers
AU M.Schneider, L.Gasper, D.E.Demco, and B.Bluemich
TE Equation of state, phase transition, decomposition of {beta}-HMX
(octahydro-1,3,5,7-tetranitro-1,3,5,7etrazocine) at high
pressures
AU Choong-Shik Yoo and Hyunchae Cynn
TE Conformational properties of polymer chains in the theta region
AU Ana M.Rubio, Juan J.Freire, C.W.Yong, and Julian H.R.Clarke
TE Shrinking pattern and phase transition velocity of poly
(N-isopropylacrylamide) gel
AU A.Suzuki, S.Yoshikawa, and G.Bai
TE Femtosecond UV laser-induced desorption of NO from
NiO(100)/Ni(100)
AU G.Eichhorn, M.Richter, K.Al-Shamery, and H.Zacharias
TE Quasielastic helium atom scattering measureents of microscopic
diffusional dynamics of H and D on the Pt(111) surface
AU Andrew P.Graham, Alexander Menzel, and J.P.Toennies
TE Electric double layer interaction of ionizable surfaces: Charge
regulation for arbitrary poentials
AU Sven Holger Behrens and Michal Borkovec
TE Transient nucleation in oxide glasses: The effect of interface
dynamics and subcritical cluster poplation
AU Laszlo Granasy and Peter F.James
TE Effect of the transient mobility in 2D continuum deposition
AU Rolando E.Belardinelli, Daniel H.Linares and Victor D.Pereyra
TE Optical properties of planar colloidal crystals: Dynamical
diffraction and the scalar wave aproximation
AU Daniel M.Mittleman, Jane F.Bertone, Peng Jiang, Kevin S.Hwang,
and Vicki L.Colvin
TE Dipolar-host/guest interactions and geometrical confinement at
the basis of thes stability of one dimensional ice in zeolite
bikitaite
AU Ettore Fois, Gloria Tabacchi, Simona Quartieri,
and Giovanna Vezzalini