Journal of Chemical Physics
15 Nov 1997, V107, N19.
%T Further partitioning of the reactant-product decoupling equations
of state-to-state reactive scattering and their solution by the
time-independent wavepacket method
%A Stuart C.Althorpe, Donald J.Kouri, and David K.Hoffman
%T Energies and derivative couplings in the vicinity of a conical
intersection. II. CH{_2}(2{^3}A", 3{^3}A") and H{_2}S(1{^1}A",
2{^1}A"), unexpected results in an ostensibly standard case
%A Nikita Matsunaga and David R.Yarkony
%T Low-energy electron attachment to brominated methanes
%A Takeyoshi Sunagawa and Hiroshi Shimamori
%T The effect of angular momentum on the unimolecular
dissociation HCO --> H + CO
%A Chao-Yie Yang and Stephen K.Gray
%T Predissociation dynamics of the A{^2}{SIGMA}{^+} state of SH and SD
%A Martyn D.Wheeler, Andrew J.Orr-Ewing, and Michael N.R.Ashfold
%T Infrared induced isomerization efficiency for CH{_2}D-CH{_2}D
isolated in rare gas matrices. Influence of the vibraitonal
excitation and of the medium
%A P.Roubin, S.Varin, P.Verlaque, and S.Coussan
%T Spontaneous emission and absorption in model
aggregates of {pi}-conjugated oligomers
%A Michael J.McIntire, Eric S.Manas, and Frank C.Spano
%T Semiclassical theory of multi-channel curve crossing problems.
Nonadiabatic tunneling case
%A Chaoyuan Zhu and Hiroki Nakamura
%T The reaction rate constant in a system with localized trajectories
in the transition region. Classical and quantum dynamics
%A Dimitry Makarov and Horia Metiu
%T The F state of the Aluminum dimer
%A John M.Dyke and Timothy G.Wright
%T Erratum: Ligand and metal binding energies in platinum carbonyl
cluster anions. Collision-induced dissociation of Pt{_m}{^-} and
Pt{_m}(CO){_n}{^-}
[J.Chem.Phys.106, 9580 (1997)]
%A Alexander Grushow and Kent M.Ervin
%T Theory of rotational energy levels of open-shell
complexes containing the O{_2} molecule
%A Hai-Bo Qian, Sarah J.Low, Dominic Seccombe, and Brian J.Howard
%T Spectroscopy and structure of the open-shell complex O{_2}-N{_2}O
%A Hai-Bo Qian, Dominic Seccombe, and Brian J.Howard
%T WKB wavefunctions for a non separable Hamiltonian
%A M.Fusco Girard
%T Microscopic calculation of the third-order NLO
susceptibility of DEANST crystal
%A M.Malagoli and R.W.Munn
%T Reaction-diffusion patterns on a disk or a square
in a model with long range interaction
%A Moshe Sheintuch and Olga Nekhamkin
%T Ab initio diffusional potential energy surface for CO chemisorption
on Pd{110} at high coverage. Coupled translation and rotation
%A P.Hu, D.A.King, S.Crampin, M.-H.Lee, and M.C.Payne
%T Short-range effects in resonant electron-molecule scattering from
van der Waals clusters
%A R.R.Lucchese and F.A.Gianturco
%T Earlytime dynamics of trans-azobenzene isomerization in solution
from resonance Raman intensity analysis
%A Nandita Biswas and Siva Umapathy
%T Quantum-chemical study of the vibronic structure of the
phosphorescence and T{_1} --> T{_n} absorption spectra of
naphthalene
%A Marek Z.Zgierski
%T General theoretical formalism for discribing the high-order effects
of the dipolar coupling between spin-1/2 and quadrupole nuclei
%A Shangwu Ding and Charles A.McDowell
%T Experimental and theoretical angular and translational
distributions for the reaction CN + D{_2} --> DCN + D
%A Jeng-Han Wang, Kopin Liu, George C.Schatz, and Marc ter Horst
%T Erratum: The microwave spectrum and structure of the
methanol{^.}SO{_2} complex
[J.Chem.Phys.103, 6440 (1995)]
%A Linghong Sun, Xue-Qing Tan, Jung Jin Oh, and Robert L.Kuczkowski
%T Methanol---sulfur dioxide van der Waals complexes.
A theoretical study
%A V.M.Rayon and J.A.Sordo
%T Time-resolved photoelectron angular distributions:
A nonperturbative theory
%A Tamar Seideman
%T Semiclassical quantization of fragmented tori.
Application to saddle-node states of LiNC/LiCN
%A A.A.Zembekov, F.Borondo, and R.M.Benito
%T Characterization of the I{_2}{^-} anion ground state
using conventional and femtosecond photoelectron spectroscopy
%A Martin T.Zannik, Travis R.Taylor, B.Jefferys Greenblatt,
Benoit Soep, and Daniel M.Neumark
%T Ionization energies of benzo[a]pyrene and benzo[e]pyrene
%A V.G.Zakrzewski, O.Dolgounitcheva, and J.V.Ortiz
%T A new spin-restricted triple excitation correction for coupled
cluster theory
%A T.Daniel Crawford, Timothy J.Lee, and Henry F.Schaefer III
%T Two-photon spectroscopy of the low lying Rydberg
states of NO. I. The 3p and 3d complexes
%A Henning Meyer
%T Two-photon spectroscopy of the low lying Rydberg states of NO.
II. Application to the NO-Ar complex
%A Henning Meyer
%T The electron affinities of the perfluorocarbons
C{_2}F{_n}, n = 1-6
%A Rollin A.King, Nathan D.Pettigrew, and Henry F.Schaefer III
%T Assessing the accuracy of the vibrational infinite order sudden
approximation for He + I{_2} (n=5) --> He + I{_2} (n'=4,6)
%A M.J.Fiedler, K.A.McDonald, and G.A.Pfeffer
%T Reaction site switching in carbon monoxide oxidation on platinum
(113). A spatial distribution study of desorbing product
%A Toshiro Yamanaka, Calin Moise, and Tatsuo Matsushima
%T Describing van der Waals interaction in diatomic
molecules with generalized gradient approximations.
The role of the exchange functional
%A Yingkai Zhang, Wei Pan, and Weitao Yang
%T Density functional and coupled-cluster study
on the HNO --> HON transition state
%A M.E.Alikhani, Christopher E.Dateo, and Timothy J.Lee
%T Energy transfer in the ground state of OH. Measurements of
OH({nu} = 8, 10, 11) removal
%A Mark J.Dyer, Karen Knutsen, and Richard A.Copeland
%T Structural relaxation dynamics of electronically
excited XeAr{_N} clusters
%A Alexander Goldberg and Joshua Jortner
%T Electronic structure and photoelectron spectroscopy of AlSi mixed
dimer
%A Xue-Bin Wang and Lai-Sheng Wang
%T Quantum molecular dynamics of large systems beyond separable
approximation. The configuration interaction classical separable
potential method
%A Pavel Jungwirth, Erick Fredj, and R.Benny Gerber
%T Probing the accuracy of pseudopotentials for
transition metals in quantum Monte Carlo calculations
%A Heinz-Jurgen Flad and Michael Dolg
%T Ultrafast study of interfacial electron transfer between
9-anthracene-carboxylate and TiO{_2} semiconductor particles
%A Ignacio Martini, Jose Hodak, Gregory V.Hartland,
and Prashant V.Kamat
%T Absorption, excitation and emission spectroscopy of terrylene in
p-terphenyl. Bulk measurements and single molecule studies
%A S.Kummer, F.Kulzer, R.Kettner, Th.Basche, C.Tietz, C.Glowatz,
and C.Kryschi
%T Orientation and tunneling in monolayer methane.
CHD{_3} physisorbed onto NaCl(100)
%A Kent A.Davis and George E.Ewing
%T On the origin of the heavy atom effect in the fine structure
splitting of the 1{^2}{PI} state of alkali metal {^2}P.
Rare gas van der Waals molecules
%A Karl Sohlberg and David R.Yarkony
%T Rovibrational states of a tetrahedral molecule
in a hexagonal close packed crystal
%A Takamasa Momose
%T Infrared spectroscopic study of rovibrational states
of methane trapped in parahydrogen crystal
%A Takamasa Momose, Masaaki Miki, Tomonari Wakabayashi,
Tadamasa Shida, Man-Chor Chan, Steven S.Lee, and Takeshi Oka
%T High resolution laser spectroscopy of methane
clusters trapped in solid parahydrogen
%A Takamasa Momose, Hiroyuki Katsuki, Hiromichi Hoshina,
Norihito Sogoshi, Tomonari Wakabayashi, and Tadamasa Shida
%T Neutron diffraction study of (ND{_4){_2}SeCl{_6}, (ND{_4}){_2}
PtCl{_6} and (ND{_4){_2}PtBr{_6} crystals. The origin of the
strong deuterium substitution effect on the phase transitions
%A Osamu Yamamuro, Kenji Okishiro, Takasuke Matsuo,
Noriko Onoda-Yamamuro, Kenichi Oikawa, Takashi
Kamiyama, Yoshio Kume, and Fujio Izumi
%T Understanding all of water's anomalies with a non-local potential
%A Chul Hee Cho, Surjit Singh, and G.Wilse Robinson
%T Light scattering investigations in a ternary liquid
mixture. Quest for a critical inflection point
%A B.M.Jaffar Ali and A.Kumar
%T Ab initio molecular dynamics study of polyfluoride anions
%A Tycho von Rosenvinge, Michele Parrinello, and Michael L.Klein
%T Cluster translation and growth in density functional theories of
homogeneous nucleation
%A Jonathan Barrett
%T A stringent test of the cavity concept in continuum dielectrics
%A Arno Papazyan and Arieh Warshel
%T Tunneling dynamics of side chains and defects in
proteins, polymer glasses, and OH-doped network glasses
%A Andreas Heuer and Peter Neu
%T Modeling the concentration dependence of diffusion in zeolites.
I. Analytical theory for benzene in Na-Y
%A Chandra Saravanan and Scott M.Auerbach
%T Modeling the concentration dependence of diffusion in zeolites.
II. Kinetic Monte Carlo simulations of benzene in Na-Y
%A Chandra Saravanan and Scott M.Auerbach
%T Paramagnetically-induced NMR relaxation in solutions containing
S>1 ions. A molecular-frame theoretical and physical model
%A Robert Sharp, Shawn M.Abernathy, and Lawrence Lohr
%T Dependence of supercooling of a liquid on its overheating
%A H.Y.Tong and F.G.Shi
%T Characterization of foldable protein models.
Thermodynamics, folding kinetics, and force fields
%A Ming-Hong Hao and Harold A.Scheraga
%T Dielectric friction effects on rotational
reorientation of three cyanine dyes in n-alcohol solutions
%A Eira Laitinen, Jouko Korppi-Tommola and Juha Linnanto
%T Equilibrium charge distribution on weak polyelectrolytes
%A Gerd Berghold, Paul van der Schoot, and Christian Seidel
%T A molecular dynamics study of translation-rotation
coupling in the NaCN plastic crystal
%A Riccardo Chelli, Gianni Cardini, and Salvatore Califano
%T Theory of photon echoes and hole burning in low
temperature glasses. How good are the standard approximations?
%A Eitan Geva and J.L.Skinner
%T Hard-sphere Yukawa fluid near a planar slit
%A Jong-Ho Yi and Soon-Chul Kim
%T Vibrational relaxation in supercritical fluids
near the critical point
%A Binny J.Cherayil and Michael D.Fayer