Chemical Physics Letters, 1999, V 313, N 1-2, 5 November.

Rickmer Kose and David A. King
Energetics and CO-induced lifting of a (1×2) surface reconstruction 
observed on Pt{311}
1-6

Jaime González Velasco
A study at the molecular level of the mechanism of surface 
diffusion at electrode-electrolyte interfaces
7-13

Zhen-Ming Hu and Hiroshi Nakatsuji
Active sites for methanol synthesis on a Zn/Cu(100) catalyst
14-18

J. Boneß, G. Marowsky and H.-G. Rubahn
Growth and thermal destruction of sodium films on Si(111)7×7 
surfaces as monitored via second-harmonic generation
19-23

M. Leonhardt, O. Mager and H. Port
Two-component optical spectra in thin PTCDA films due to the 
coexistence of  and 
-
phase
24-30

M. Sarobe et al.
S8-mediated cyclotrimerization of 
4,5-dihydrobenz[l]acephenanthrylene: trinaphthodecacyclene 
(C60H30) isomers and their propensity towards 
cyclodehydrogenation
31-39

X.Z. Ke, Z.Y. Zhu, F.S. Zhang, F. Wang and Z.X. Wang
Molecular dynamics simulation of C20 fullerene
40-44

Kaoru Kobayashi and Shigeru Nagase
Theoretical study of structures and dynamic properties of 
Sc3@C82
45-51

V. Bernshtein and I. Oref
Intramolecular energy redistribution in C60 following 
high-energy collisions with Li+
52-56

B. Schweitzer, V.I. Arkhipov, U. Scherf and H. Bä>ssler
Geminate pair recombination in a conjugated polymer
57-62

Seiji Akimoto, Iwao Yamazaki, Shinichi Takaichi and Mamoru Mimuro
Excitation relaxation of carotenoids within the S2 
state probed by the femtosecond fluorescence up-conversion method
63-68

Ning Zhang et al.
Sintering temperature-dependent magnetism and structure in granular 
perovskites La1xSrxMnOz
69-75

Jian Li, Veronica M. Bierbaum and Stephen R. Leone
Laser ionization time-of-flight mass spectrometer detection of 
methyl radical produced by ion-molecule reactions in a flowing-afterglow 
apparatus
76-84

Y. Matsushita and T. Hikida
The effect of cyclodextrin complexation on the fluorescence properties 
of ethyl-4´-dimethylaminobenzoate
85-90

Pavel Nikolaev et al.
Gas-phase catalytic growth of single-walled carbon nanotubes from 
carbon monoxide
91-97

Rongshun Zhu et al.
Photodissociation of o-bromotoluene at 266 nm
98-104

C. Félix et al.
Fluorescence and excitation spectra of Ag4 in an argon matrix
105-109

T. Ban, S. Ter-Avetisyan, R. Beuc, H. Skenderovi and G. Pichler
Photoassociation of cesium atoms into the double minimum 
Cs231u+ state
110-114

Jean-François Létard et al.
Critical temperature of the LIESST effect in iron(II) spin crossover 
compounds
115-120

Igor Derzy, Vladimir A. Lozovsky and Sergey Cheskis
Absorption cross-sections and absolute concentration of singlet 
methylene in methane/air flames
121-128

Tsuneki Ichikawa, Kimihiro Akiyama, Goh Satoh and Hitoshi Koizumi
Thermal emission of alkaline ions from solid electrolyte: evidence 
of nonstoichiometric reaction
129-133

J.K. Deng et al.
The valence shell binding energy spectra and frontier orbital 
momentum profiles of methylpropane (isobutane) by binary (e,2e) spectroscopy
134-138

Peter A. Mirau, Sharon A. Heffner and Marcia Schilling
Controlling the chain dynamics of polymers at interfaces
139-144

Petr P. Borbat and Jack H. Freed
Multiple-quantum ESR and distance measurements
145-154

Zhaohui Wang et al.
Geminate recombination of I3"-" in cooled 
liquid and glassy ethanol
155-161

J.K. Agreiter, A.M. Knight and M.A. Duncan
ZEKE-PFI spectroscopy of the Al-(H2O) and Al-(D2O) 
complexes
162-170

David Pfluger, Wayne E. Sinclair, Harold Linnartz and John P. Maier
Rotationally resolved electronic absorption spectra of triacetylene 
cation in a supersonic jet
171-178

Xue-Bin Wang and Lai-Sheng Wang
Vibrationally resolved photoelectron spectroscopy of 
PO"-"3 and the electronic structure 
of PO3
179-183

Jiong-Ming Zhu, Bin-Lu Zhou and Zong-Chao Yan
Dispersion coefficients for interactions among two-electron atomic systems
184-188

Robert E. Wyatt
Quantum wavepacket dynamics with trajectories: wavefunction synthesis
along quantum paths
189-197

Szczepan Roszak, Robert Gora and Jerzy Leszczynski
A theoretical study of the structures and energetics of 
O"-"Arn (n=1-6) clusters
198-204

F. Fecher, P. Strasser, M. Eiswirth, F.W. Schneider and A.F. Münster
Spatial entrainment of patterns during the polymerization of acrylamide
in the presence of the methylene blue-sulfide chemical oscillator
205-210

Rui Hua Xie and Qin Rao
Third-order optical nonlinearities of chiral graphene tubules
211-216

Zhong Chen, Scott D. Kennedy and Jianhui Zhong
Theoretical formalism and experimental confirmation of intermolecular 
dipolar effects under time-averaged magnetic field gradients
217-224

D. Sokolovski, J.F. Castillo and C. Tully
Semiclassical angular scattering in the F+H2">HF+H reaction: 
Regge pole analysis using the Padé approximation
225-234

Sérgio Urahata and Sylvio Canuto
Monte Carlo study of the temperature dependence of the hydrophobic 
hydration of benzene
235-240

V.M. Yartsev
Electronic correlation and electron-molecular vibration 
coupling effects on non-linear optical properties of molecular dimer
241-245

A.I. Shushin
Detailed analysis of the mechanism of net electron spin 
polarization in liquid phase triplet-radical quenching
246-254

V.A. Malyshev and F. Domínguez-Adame
Motional narrowing effect in one-dimensional Frenkel chains with 
configurational disorder
255-260

Masaaki Kawata and Masuhiro Mikami
Acceleration of the canonical molecular dynamics simulation by 
the particle mesh Ewald method combined with the multiple time-step 
integrator algorithm
261-266

David A. Good, Yumin Li and Joseph S. Francisco
Location of the first excited states of fluorinated ethers, 
E143a (CH3OCF3), E134 (CHF2OCHF2),
and E125 (CHF2OCF3)
267-270

Aaron M. Lee and Peter M.W. Gill
Computation of Coulomb and exchange radial intracule densities
271-278

Keshav N. Shrivastava et al.
Density functional theory calculations of molecular nitrogen 
on a ruthenium cluster
279-282

Yuji Fukumoto, Hiroyasu Koizumi and Kenji Makoshi
Location of conical intersections by the Pancharatnam connection 
and the sign-change theorem of Longuet-Higgins: a model calculation
with the H4 potential surface
283-292

James A. Snyder and Edwin D. Stevens
A wavefunction and energy of the azide ion in potassium azide obtained 
by a quantum-mechanically constrained fit to X-ray diffraction data
293-298

José María Alvariño, Aurelio Rodríguez, 
Antonio Laganà and María Luz Hernández
Double-well structure and microscopic branching in the 
O(1D)+HCl reaction
299-306

Suk Ping So
A Gaussian-2 molecular orbital study of the reaction of CF3 
with NO2
307-312

Zhiru Li, Arthur Chou and Fu-Ming Tao
Ab initio study of the intermolecular potential surface of He-NH3
313-320

Ohyun Kwon, Michael L. McKee and Robert M. Metzger
Theoretical calculations of methylquinolinium tricyanoquinodimethanide 
(CH3Q-3CNQ) using a solvation model
321-331

M. Oppel and G.K. Paramonov
Selective vibronic excitation and bond breaking by picosecond UV and 
IR laser pulses: application to a two-dimensional model of HONO2
332-340

Yasuyuki Ishikawa, R.C. Binning Jr. and Nancy S. Shramek
Direct ab initio molecular dynamics study of 
NO2++(H2O)4
HNO3(H7O3+)
341-350

Jörg Tatchen and Christel Maria Marian
On the performance of approximate spin-orbit Hamiltonians in 
light conjugated molecules: the fine-structure splitting of 
HC6H+, NC5H+, 
and NC4N+
351-357

T.W. Allen, M. Hoyles, S. Kuyucak and S.H. Chung
Molecular and Brownian dynamics study of ion selectivity and
conductivity in the potassium channel
358-365

Magorzata Biczysko and Zdzisaw Latajka
The influence of water molecules on the proton position in 
H3N-HX (X=F,Cl,Br) complexes
366-373

Fahmi Himo, Gerald T. Babcock and Leif A. Eriksson
Tyrosyl radical in galactose oxidase not strongly perturbed by 
cysteine cross-link
374-378

Pavel Soldán, Edmond P.F. Lee, Stuart D. Gamblin and Timothy G. Wright
Structure and stability of the Na+·CO2 
and Na+·H2O complexes
379-384

J. Grembecka, P. Kdzierski and W.A. Sokalski
Non-empirical analysis of the nature of the inhibitor-active-site 
interactions in leucine aminopeptidase
385-392

Filip Ryjáek, Martin Kratochvíl and Pavel Hobza
Adenine···2,4-difluorotoluene (modified base) pair: 
potential and free-energy surfaces
393-398

Arie Landau, Ephraim Eliav and Uzi Kaldor
Intermediate Hamiltonian Fock-space coupled-cluster method
399-403