Chemical Physics Letters, 1998, V 294, N 4-5, 18 September.


Alessandro Curioni, Mauro Boero, Wanda Andreoni, Alq3: ab initio
calculations of its structural and electronic properties in neutral and
charged states,  
pp. 263-271

Enrique M. Cabaleiro-Lago, Miguel A. Ríos, A cooperative mechanism as the
main source of the marked structural differences between solid and gaseous
HCN...BF3,  
pp. 272-276

M.P. Neal, A.J. Parker, Computer simulations using a longitudinal
quadrupolar Gay--Berne model: effect of the quadrupole magnitude on the
formation of the smectic phase, 
pp. 277-284

V. Subramanian, D. Sivanesan, R. Amutha, J. Padmanabhan, T. Ramasami,
Hardness profile of interaction of H--F with He, Ne and Ar: a density
functional and MP2 calculation, 
pp. 285-291

Asger Halkier, Sonia Coriani, Poul Jřrgensen, The molecular electric
quadrupole moment of N2,  
pp. 292-296

E.B. Fel'dman, R. Brüschweiler, R.R. Ernst, From regular to erratic quantum
dynamics in long spin 1/2 chains with an XY Hamiltonian, 
pp. 297-304

Robert J. Bursill, Christopher Castleton, William Barford, Optimal
parametrisation of the Pariser--Parr--Pople Model for benzene and biphenyl,
pp. 305-313

Federico Moscardó, J.C. Sancho-García, Exchange and correlation Kohn--Sham
functionals for the helium atom: locality and homogeneity, 
pp. 314-318

Joseph S. Francisco, The structure and heat of formation of the CH3OCH2O
radical,  
pp. 319-322

Gunnar Jeschke, Robert Bittl, Electron spin echo envelope modulation by
electronic spin--spin interactions in radical pairs undergoing electron
transfer,  
pp. 323-331

M.J.L. de Lange, J.J. van Leuken, M.M.J.E. Drabbels, J. Bulthuis, J.G.
Snijders, S. Stolte, Direct spectroscopic determination of the degree of
orientation of parity-selected NO, 
pp. 332-338

Mark L. Campbell, Kinetic study of gas-phase Y(a 2D3/2) and La(a 2D3/2)
with O2, N2O, CO2 and NO,  
pp. 339-344

U.-T. Pingel, J.-P. Amoureux, T. Anupold, F. Bauer, H. Ernst, C. Fernandez,
D. Freude, A. Samoson, High-field 17O NMR studies of the SiOAl bond in
solids,  
pp. 345-350

Stanislaw Krawczyk, Excited states and electrochromism of radical cation of
the carotenoid astaxanthin,  
pp. 351-356

T. Hihara, S. Pokrant, J.A. Becker, Magnetic moments and chemical bonding
in isolated BiNCoM clusters,  
pp. 357-362

R. Berger, H.P. Lang, Ch. Gerber, J.K. Gimzewski, J.H. Fabian, L.
Scandella, E. Meyer, H.-J. Güntherodt, Micromechanical thermogravimetry,
pp. 363-369

Y. Negishi, H. Kawamata, F. Hayakawa, A. Nakajima, K. Kaya, The infrared
HOMO--LUMO gap of germanium clusters, 
pp. 370-376

Walther Caminati, Sonia Melandri, Aldo Millemaggi, Paolo G. Favero,
Rotational spectrum of the imidazole--argon complex, 
pp. 377-380

Armin D. Rudert, José Martin, Helmut Zacharias, Joshua B. Halpern,
Controlling molecular angular momentum orientation by Raman pumping and
optical ac Stark effect,  
pp. 381-386

B. Nagels, P. Bakker, L.J.F. Hermans, P.L. Chapovsky, Violation of
nuclear-spin symmetry in collisions of symmetric tops, 
pp. 387-390

Ch. Lüder, K.H. Meiwes-Broer, Electron detachment energies of
PbN-(N=24--204) determined in a simple magnetic bottle photoelectron
spectrometer,  
pp. 391-396

T. Platz, W. Demtröder, Sub-Doppler optothermal overtone spectroscopy of
ethylene and dichloroethylene,  
pp. 397-405

Salvador Mafé, Patricio Ramírez, Antonio Alcaraz, Electric field-assisted
proton transfer and water dissociation at the junction of a fixed-charge
bipolar membrane,  
pp. 406-412

T. Klüner, S. Thiel, H.-J. Freund, V. Staemmler, The vibrational excitation
of NO desorbing from NiO(100) after UV laser irradiation: is NO- a possible
intermediate species?,  
pp. 413-418

Gengyu Cao, Yoshiyuki Seimiya, Yuichi Ohno, Tatsuo Matsushima, Reaction
sites working in steady-state CO oxidation on a stepped Pt(113) surface,
pp. 419-424

Christoph Bilger, Bruno Pettinger, The SHG anisotropy pattern of a
reconstructed gold(110) electrode, 
pp. 425-433

J. Rommens, M. Van der Auweraer, F.C. De Schryver, Sensitized photocurrents
in molecular dispersions of
5'-[4-[bis(4-ethylphenyl)amino]phenyl]-N,N,N',N'-tetrakis(4-ethylphenyl)-[1,1':3',1''-terphenyl]-4,4''-diamine,
pp. 434-442

Louzhen Fan, Yongfang Li, Fengying Li, Yuliang Li, Daoben Zhu, Positive
shifts of the C60 reduction potentials by introducing cyano groups,
pp. 443-446