Chemical Physics Letters, 2002, V 352, N 5-6, 6 February.

Karsten Reuter, Catherine Stampfl, M. Vero'nica Ganduglia-Pirovano
and Matthias Scheffler
Atomistic description of oxide formation on metal surfaces: the example of 
ruthenium 
311-317

Y.D. Kim, R.M. Lynden-Bell, A. Alavi, J. Stulz and D.W. Goodman
Evidence for partial dissociation of water on flat MgO(100) surfaces 
318-322

Tomasz Ro'g, Krzysztof Murzyn and Marta Pasenkiewicz-Gierula
The dynamics of water at the phospholipid bilayer surface: a molecular dynamics 
simulation study 
323-327

Zhaoxia Jin, Lei Huang, Suat Hong Goh, Guoqin Xu and Wei Ji
Size-dependent optical limiting behavior of multi-walled carbon nanotubes 
328-333

H. Tanaka, M. El-Merraoui, W.A. Steele and K. Kaneko
Methane adsorption on single-walled carbon nanotube: a density functional theory 
model 
334-341

Elke Plo"njes et al.
Synthesis of single-walled carbon nanotubes in vibrationally non-equilibrium 
carbon monoxide 
342-347

Wataru Fujita, Kunio Awaga, Yasuhiro Nakazawa, Kazuya Saito and Michio Sorai
Complex phase transitions in stable thiazyl radicals: spin-gap, 
antiferromagnetic ordering and double melting 
348-352

Hongyu Liu et al.
Effect of rubrene on characteristic of red organic electroluminescent device 
doped with rubrene 
353-356

Ji-Won Oh et al.
Ultrafast energy transfer in J-aggregate on AgBr microcrystals: its dependence 
on dye coverage 
357-362

Long-Wei Yin, Mu-Sen Li, Zhi-Guang Gong, Yu-Jun Bai and Zhao-Yin Hao
Nanosized crystalline foreign particles contained in cubic boron nitride single 
crystals 
363-368

A. Gonza'lez Uren~a, K. Gasmi, J. Jime'nez and R.F. Lobo
Excitation laser fluence effects on the Ba···FCH3+h [nu] [->] BaF+CH3 
intracluster reaction 
369-374

Horst Kunkely and Arnd Vogler
Photodisproportionation of Hg22+ 
375-377

R.C. Maher, L.F. Cohen and P. Etchegoin
Single molecule photo-bleaching observed by surface enhanced resonant Raman 
scattering (SERRS) 
378-384

Edmond P.F. Lee and Timothy G. Wright
Heats of formation of LiOH(X1 [Sigma] +) and LiOH+(X2 [Pi] ): the ionization 
energy of LiOH 
385-392

S. Le Cae"r, M. Heninger and H. Mestdagh
Successive reactions of iron carbonyl cations with H2O: influence of a buffer 
gas on ligand substitution rate 
393-400

Wei Huang, Xuan Zhang, Li-Hua Ma, Chao-Jie Wang and Yun-Bao Jiang
Intramolecular charge transfer dual fluorescence of substituted-phenyl p-
dimethylaminobenzoates with comparable electron acceptors 
401-407

Frederik V.R. Neuwahl, Roberto Righini and Andrea Dei
Femtosecond spectroscopic characterisation of the two-step valence tautomeric 
interconversion occurring in a cobalt-dioxolene complex 
408-414

Elena Falkovskaia, Vasyl G. Pivovarenko and Juan Carlos del Valle
Observation of a single proton transfer fluorescence in a biaxially symmetric 
dihydroxy diflavonol 
415-420

Youngjin Kim, Robert C. Johnson, Jiangtian Li, Joseph T. Hupp and George C. Schatz
Synthesis, linear extinction, and preliminary resonant hyper-Rayleigh scattering 
studies of gold-core/silver-shell nanoparticles: comparisons of theory and 
experiment 
421-428

Somobrata Acharya, D. Bhattacharjee and G.B. Talapatra
Spectroscopic characteristics of 9-cyanoanthracene mixed with polymethyl 
methacrylate and stearic acid in Langmuir-Blodgett films 
429-434

Jing-Jing Zheng et al.
Absolute local mode vibrational band intensities of AsH3 
435-440

Dirk Zahn and Ju"rgen Brickmann
Molecular dynamics study of water pores in a phospholipid bilayer 
441-446

T. Charpentier, F.S. Dzheparov, J.-F. Jacquinot and J. Virlet
Dipolar order under fast magic-angle spinning 
447-453

L. Ducasse
Theoretical design of a high spin organic molecule. II 
454-462

P. Fischer, K. Beckwitt, F.W. Wise and A.C. Albrecht
The chiral specificity of sum-frequency generation in solutions 
463-468

Victor Polo, Ju"rgen Gra"fenstein, Elfi Kraka and Dieter Cremer
Influence of the self-interaction error on the structure of the DFT exchange 
hole 
469-478

Yusuke Nishiyama and Takehiko Terao
[gamma] -Encoding transform NMR for uniaxially oriented samples 
479-485

M. Nest and H.-D. Meyer
Improving the mapping mechanism of the mapped Fourier method 
486-490

Rosendo Pou-Ame'rigo, Pedro M. Viruela, Rafael Viruela, Mercedes Rubio and 
Enrique Orti'
Electronic spectra of tetrathiafulvalene and its radical cation: analysis of the 
performance of the time-dependent DFT approach 
491-498

O.K. Dudko, A.E. Filippov, J. Klafter and M. Urbakh
Dynamic force spectroscopy: a Fokker-Planck approach 
499-504

Nicole R. Brinkmann, Nancy A. Richardson, Steven S. Wesolowski, Yukio Yamaguchi 
and Henry F. Schaefer III
Characterization of the [$\tilde{\mathrm{X}}$] 2A1 and a~4A2 electronic states 
of CH2+ 
505-510

Takao Otsuka, Delano P. Chong, Jun Maki, Hiroyuki Kawabe and Kazunaka Endo
Theoretical Auger electron and X-ray emission spectra of CO and H2O by density 
functional theory calculations 
511-520

Qingzhu Zhang, Shaokun Wang and Yueshu Gu
Direct ab initio and kinetic calculation for the abstraction reaction of atomic 
O (3P) with CH3Br 
521-528

H.E. Montgomery
Dynamic dipole polarizabilities of the confined hydrogen atom 
529-532

Kenneth Ruud and Trygve Helgaker
Optical rotation studied by density-functional and coupled-cluster methods 
533-539

Philip J. Wilson and David J. Tozer
A Kohn-Sham study of the oxirene-ketene potential energy surface 
540-544

Author index 
545-554