Chemical Physics Letters, 2004, V 399, N 1-3, 21 November.

 1.   
 The influence of core correlation
 on the spectroscopic constants of HAt  ; 
 Andre; Severo Pereira Gomes
 and Lucas Visscher
 Pages 1-6
 
2.   
 Ab initio nonadiabatic coupling elements:
 the conical intersection between the
 three lower states of the H2O system  ; 
gnes Vib;k, Gabor J. Hal;sz and Michael Baer
 Pages 7-14
 
3.   
 Multiple phase production on 
 doping Er3+ into ;-Al2O3  ; 
 P.A. Tanner, K.L. Wong and Y. Liang
 Pages 15-19
 
4.   
 Evidence of a melt like supercooled
 liquid during a solid to liquid transition
 of titanium nanowire  ; 
 Li Hui, B.L. Wang, J.L. Wang 
 and G.H. Wang
 Pages 20-25
 
5.   
 Uncoupled oscillator model for
 interpreting second harmonic 
 generation measurements of 
 oriented chiral systems  ; 
 Garth J. Simpson, John M. Perry, 
 Andrew J. Moad and Ronald D. Wampler
 Pages 26-32 
 
6.   
 Rate constant measurement for 
 the OH + OH ; H2O + O reaction 
 at 220;320 K using discharge 
 flow/mass spectrometer/resonance 
 fluorescence technique  ; 
 Haolin Sun and Zhuangjie Li
 Pages 33-38 
 
7.   
 Free and pulsed jet rotational 
 spectra and van der Waals 
 motions of ethanolargon  ; 
 Assimo Maris, Walther Caminati, 
 Biagio Velino, Camilla M. Andrews 
 and Brian J. Howard
 Pages 39-46  
 
8.   
 Study on the reduction of uranium
 and color centers in U:CaF2 single
 crystals grown by the temperature
 gradient technique  ; 
 Liangbi Su, Jun Xu, Weiqiao Yang, 
 Yongjun Dong, Jun Jiang, Weifeng Li, 
 Guoqing Zhou, Hongjun Li and Jiliang Si
 Pages 47-52
 
9.   
 Effects of electron bombardment
 on the thermal desorption of cyclic
 hydrocarbons from zirconium surfaces  ; 
 N. Stojilovic and R.D. Ramsier
 Pages 53-56
 
10.   
 Multireference configuration interaction
 treatment of excited-state electron
 correlation in periodic systems: 
 the band structure of trans-polyacetylene  ; 
 Viktor Bezugly and Uwe Birkenheuer
 Pages 57-61 
 
11.   
 Formation of CuO nanowires on Cu foil  ; 
 C.H. Xu, C.H. Woo and S.Q. Shi
 Pages 62-66
 
12.   
 Electronic structure and spectra of plutonyl
 complexes and their hydrated forms: 
 PuO2CO3 and PuO2CO3 ; nH2O (n = 1,2)  ; 
 Doyel Chaudhuri and K. Balasubramanian
 Pages 67-72 
 
13.   
 Cavity size effects on charge-transfer-to-solvent
 precursor excited states of internal 
 halide water clusters X;(H2O)6  ; 
 Wen-Shyan Sheu and Yuh-Tzung Liu
 Pages 73-77
 
14.   
 Dixon dip in the highly excited vibrational
 levels sharing a common approximate 
 quantum number and its destruction 
 under multiple resonances  ; 
 Huanru Wang, Peijie Wang and Guozhen Wu
 Pages 78-83
 
15.   
 Calculation of nuclear magnetic resonance
 shielding constants using 
 potential-based methods  ; 
 Aron J. Cohen, Qin Wu and Weitao Yang
 Pages 84-88 
 
16.   
 Electronic structure of the ferroelectric-layered
 perovskite bismuth titanate by ab initio 
 calculation within density functional theory  ; 
 Meng-Qiu Cai, Zhen Yin,  
 Ming-Sheng Zhang and Yi-Zhi Li
 Pages 89-93 
 
17.   
 13C NMR study of Ca@C74: the cage structure 
 and the site-hopping motion of a Ca atom
 inside the cage  ; 
 Takeshi Kodama, Ryosuke Fujii, Yoko Miyake,
 Shinzo Suzuki, Hiroyuki Nishikawa, 
 Isao Ikemoto, Koichi Kikuchi and
 Yohji Achiba
 Pages 94-97 
 
18.   
 On the involvement of the shallow core
 5d level in the bonding in HgO  ; 
 Per-Anders Glans, Timothy Learmonth,
 Cormac McGuinness, Kevin E. Smith, 
 Jinghua Guo, Aron Walsh, 
 Graeme W. Watson and Russell G. Egdell
 Pages 98-101
 
19.   
 Difference frequency generation in 
 periodically poled lithium niobate and
 its use in the detection of atmospheric methane  ; 
 H.Y. Clark, L. Corner, W. Denzer, G. Hancock, 
 A. Hutchinson, M. Islam, R. Peverall 
 and G.A.D. Ritchie
 Pages 102-108
 
20.   
 Opening and closing of single-wall
 carbon nanotubes  ; 
 H.Z. Geng, X.B. Zhang, S.H. Mao,
 A. Kleinhammes, H. Shimoda, 
 Y. Wu and O. Zhou
 Pages 109-113 
 
21.   
 Fluorescence depolarization in the
 presence of excitation energy 
 migration in partly ordered polymer films  ; 
 A. Synak, G. Gondek, P. Bojarski, 
 L. Kulak, A. Kubicki, M. Szabelski and P. Kwiek
 Pages 114-119 
 
22.   
 Velocity-selective resonance dips in the probe
 absorption spectra of Rb D2 transitions
 induced by a pump laser  ; 
 S. Chakrabarti, A. Pradhan, A. Bandyopadhyay,
 A. Ray, B. Ray, N. Kar and P.N. Ghosh
 Pages 120-124 
 
23.   
 The prospect of beryllium;oxygen group
 to search for new nonlinear optical crystals  ; 
 Zheshuai Lin, Zhizhong Wang, 
 Chuangtian Chen, I-Pin Wu and Ming-Hsien Lee
 Pages 125-129
 
24.   
 Template synthesis and characterization
 of chiral organic nanotubes and nanowires  ; 
 Haiyang Gan, Huibiao Liu, Yuliang Li, 
 Yang Liu, Fushen Lu, Tonggang Jiu
 and Daoben Zhu
 Pages 130-134 
 
25.   
 Different ground-state potentials for the
 same ultracold-collision outcome  ; 
 E.M.S. Ribeiro, A.L.M. Zanelatto 
 and R.d.J. Napolitano
 Pages 135-139 
 
26.   
 Electronic spectrum of SiSe+: a MRDCI study  ; 
Surya Chattopadhyaya and Kalyan Kumar Das
 Pages 140-146 
 
27.   
 Excited state proton transfer from pyranine
 to acetate in a CTAB micelle  ; 
 Durba Roy, Rana Karmakar, Sudip Kumar Mondal, 
 Kalyanasis Sahu and Kankan Bhattacharyya
 Pages 147-151
 
28.   
 Sensitised green emission in an electrically
 active polymer doped with a fluorinated acridine  ; 
 Luciano Miozzo, Antonio Papagni, Michele Cerminara, 
 Francesco Meinardi, Riccardo Tubino and Chiara Botta
 Pages 152-156
 
29.   
 Electronic structure of stacked C60 shuttlecocks  ; 
S. Okada, R. Arita, Y. Matsuo, E. Nakamura, 
A. Oshiyama and H. Aoki
 Pages 157-161 
 
30.   
 First hyperpolarizabilities of ionic octupolar
 molecules: structure;function relationships
 and solvent effects  ; 
 Paresh Chandra Ray and Jerzy Leszczynski
 Pages 162-166
 
31.   
 Influence of dielectric function properties
 on the optical response of plasmon 
 resonant metallic nanops  ; 
 N.K. Grady, N.J. Halas and P. Nordlander
 Pages 167-171
 
32.   
 13C NMR shielding tensors of carboxyl
 carbon in amino acids calculated
 by ONIOM method  ; 
 Anmin Zheng, Minghui Yang, Yong Yue,
 Chaohui Ye and Feng Deng
 Pages 172-176
 
33.   
 The change in Gibbs free energy for hydrophobic
 association: Derivation and evaluation 
 by means of inverse temperature transitions  ; 
 Dan W. Urry
 Pages 177-183
 
34.   
 A density functional theory study of hexafluoropropene: 
 low-lying singlet excited states and primary 
 photodissociation channel  ; 
 Costantino Zazza, Luigi Bencivenni 
 and Massimiliano Aschi
 Pages 184-189 
 
35.   
 DFT and MP2 investigation of the  
 anion potential energy surface  ; 
 Abdeladim Guermoune, Abdellah Jarid, 
 Abdeljalil Ouassas, Serrar Chafiq 
 and Abderrahman Es-sofi
 Pages 190-195 
 
36.   
 Variable angle spinning (VAS) NMR 
 study of solvent effects in liquid 
 crystalline solutions of 13C;iodomethane  ; 
 Gregory H.J. Park, Rachel W. Martin, 
 Dimitris Sakellariou, Alexander Pines,
 Aleksan G. Shahkhatuni, 
 Astghik A. Shahkhatuni and 
 Henry A. Panosyan
 Pages 196-199
 
37.   
 Charge separation and charge 
 transfer to solvent in NaCl;water clusters  ; 
 S.S.M.C. Godinho, P. Cabral do Couto
 and B.J. Costa Cabral
 Pages 200-205 
 
38.   
 The structures of c-C4F8 and  and the
 adiabatic electron affinity of c-C4F8  ; 
 G.A. Gallup
 Pages 206-209 
 
39.   
 Femtosecond electron transfer dynamics
 of 9,9-bianthryl in acetonitrile as studied 
 by time-resolved near-infrared absorption 
 spectroscopy  ; 
 Tomohisa Takaya, Hiro-o Hamaguchi, 
 Haruo Kuroda and Koichi Iwata
 Pages 210-214 
 
40.   
 Mesoscopic simulation study on the 
 orientation of surfactants adsorbed 
 at the liquid/liquid interface  ; 
 Feng-Lan Dong, Ying Li and Peng Zhang
 Pages 215-219
 
41.   
 Cation-0; vs anionc0; interactions: a complete 0;
 -orbital analysis  ; 
 Carolina Garau, Antonio Frontera, 
 David Qui;onero, Pablo Ballester,
 Antoni Costa and Pere M. Dey;
 Pages 220-225 
 
42.   
 Performances of different density functionals
 in the computation of vibrational spectra
 beyond the harmonic approximation  ; 
 Philippe Carbonniere and Vincenzo Barone
 Pages 226-229 
 
43.   
 Large and ultrafast third-order optical
 nonlinearity of GeS2;Ga2S3;CdS 
 chalcogenide glass  ; 
 X.F. Wang, Z.W. Wang, J.G. Yu, 
 C.L. Liu, X.J. Zhao and Q.H. Gong
 Pages 230-233 
 
44.   
 Solvation shift of a conical intersection
 in clusters of excited tetrakis(dimethyl amino)ethylene
 with ammonia and acetonitrile molecules  ; 
 S. Sorgues, J.-M. Mestdagh and B. Soep
 Pages 234-238
 
45.   
 Fluorescence excitation and fluorescence
 spectra of jet-cooled phenanthridine
 and 7,8-benzoquinoline  ; 
 J. Prochorow, I. Deperasiska and Y. Stepanenko
 Pages 239-246 
 
46.   
 A gradient-corrected hybrid Hartree;Fock-density
 functional study of the dihydrogen-bonded
 phenol;borane-trimethylamine complex  ; 
 Ljupo Pejov and Gjorgji Ivanovski
 Pages 247-254 
 
47.   
 X-ray photoelectron spectroscopy studies
 of double-walled carbon nanotube bundles
 synthesized using thermal chemical
 vapor deposition  ; 
 Hyun Cheol Choi, Sin Young Kim, 
 Woo Sung Jang, Seung Yong Bae, 
 Jeunghee Park, Kyung Lock Kim 
 and Kwan Kim
 Pages 255-259 
 
48.   
 A regular isomerization path among
 chaotic vibrational states of   ; 
 Stavros C. Farantos, Shi Ying Lin
 and Hua Guo
 Pages 260-265 
 
49.   
 Chemistry on single atoms: key factors
 for the acetylene trimerization on 
 MgO-supported Rh, Pd, and Ag atoms  ; 
 Anke S. Wo;rz, Ken Judai, Stephane Abbet, 
 Jean-Marie Antonietti, Ulrich Heiz, 
 Annalisa Del Vitto, Livia Giordano 
 and Gianfranco Pacchioni
 Pages 266-270 
 
50.   
 A new explicit hydration penalty 
 score for ligand;protein interactions  ; 
 Ricardo L. Mancera
 Pages 271-275 
 
51.   
 Multiphoton-induced periodic
 microstructures inside bulk 
 azodye-doped polymers by 
 multibeam laser interference  ; 
 Jinhai Si, Zhichong Meng, 
 Shingo Kanehira, Jianrong Qiu, 
 Bin Hua and Kazuyuki Hirao
 Pages 276-279 
 
52.   
 Fluorination of carbon nanotubes
 with xenon difluoride  ; 
 E. Unger, M. Liebau, G.S. Duesberg, 
 A.P. Graham, F. Kreupl, R. Seidel 
 and W. Hoenlein
 Pages 280-283 
 
53.   
 Electrical bistability in molecular films: 
 transition from memory to threshold switching  ; 
 Swarup K. Majee, Anirban Bandyopadhyay
 and Amlan J. Pal
 Pages 284-288 
 
54.   
 Comment on: "A symmetric
 hydrogen bond revisited: potassium
 hydrogen maleate by variable temperature,
 variable pressure neutron diffraction
 and plane-wave DFT methods;" 
 [Chem. Phys. Lett. 381 (2003) 102]  ; 
  Francois Fillaux, A. Cousson
  and J. Tomkinson
 Pages 289-291

55.   
 Reply to comment on: ";A symmetric hydrogen
 bond revisited: potassium hydrogen maleate
 by variable temperature, variable pressure
 neutron diffraction and plane-wave DFT 
 methods"[Chem. Phys. Lett. 381 
 (2003) 102]  ; 
Chick C. Wilson, Lynne H. Thomas and Carole A. Morrison
Pages 292-293  
 
56.   
 Editorial board  ; 
 Page CO2