Chemical Physics Letters, 2004, V 383, N 1-2, 1 January.


1.   
 Al3+ · He: stability and spectroscopy, 
Timothy G. Wright and Edmond P. F. Lee
Pages 1-5

2.   
 Diffusive escape and reentry through a channel
 in the cavity wall, 
 A. M. Berezhkovskii and A. V. Barzykin
 Pages 6-10 

3.   
 Organic donor/acceptor heterojunction photovoltaic devices
 based on zinc phthalocyanine and a liquid crystalline
 perylene diimide, 
 Jung Yong Kim and Allen J. Bard
 Pages 11-15 

4.   
 A computational study on mechanism and kinetics for the 
 abstraction reaction of SiHCl3 with atomic O(3P), 
 Qingzhu Zhang, Yueshu Gu and Shaokun Wang
  Pages 16-20

5.   
 Propagation effects on the peak profile in two-dimensional
 optical photon echo spectroscopy, 
 Dorine Keusters and Warren S. Warren
 Pages 21-24 

6.   
 Dynamics and kinetics of the F + OH reaction on the ground
 triplet potential energy surface,
 Susana Gomez-Carrasco, Lola Gonzalez-Sanchez,
 Alfredo Aguado, Miguel Paniagua, Octavio Roncero,
 M. Luz Hernandez and Jose M. Alvarino
  Pages 25-30 

7.   
 Ultrafast study of electronic relaxation dynamics in Au11
 nanoclusters,  
 Christian D. Grant, Adam M. Schwartzberg, Yiyun Yang,
 Shaowei Chen and Jin Z. Zhang
 Pages 31-34

8.   
 New mechanism of the gas drift near a magnetized surface, 
 Michael A. Waxman
 Pages 35-39 

9.   
 Theoretical study of the position of the transition state for
 unimolecular reactions: an entropy model, 
 Jian-Wei Zou, Wei-Chen Chen, Che-Lun Kao and Chin-Hui Yu
 Pages 40-46 

10.   
 pKa calculation of poliprotic acid: histamine, 
 Heitor A. De Abreu, Wagner B. De Almeida and Helio A. Duarte
 Pages 47-52 

11.   
 The lowest singlet and triplet electronic states of NiC revised, 
 Antonio Carlos Borin and Luiz Guilherme M. de Macedo
 Pages 53-58 

12.   
 The unusual luminescence properties of 2,2',2''-terpyridine-metal
 ion complexes, 
 Vlasoula Bekiari and Panagiotis Lianos
 Pages 59-61 

13.   
 The accuracy of the quantum/classical time-dependent self-consistent
 field treatment to reaction dynamics of large systems,
 Lichang Wang
 Pages 62-66 
 -
14.   
 The simple cubic structure of Ir clusters and the element effect
 on cluster structures,  
 Wenqin Zhang, Li Xiao, Yasuhiro Hirata, Tiffany Pawluk
 and Lichang Wang
 Pages 67-71

15.   
 Optical limiting properties of amorphous SixNy and SiC coated
 carbon nanotubes, 
 K. C. Chin, A. Gohel, H. I. Elim, W. Ji, G. L. Chong, K. Y. Lim,
 C. H. Sow and A. T. S. Wee
 Pages 72-75 

16.   
 Fluctuations of surface-enhanced Raman spectra of CO adsorbed
 on gold substrates,
 Andrzej Kudelski and Bruno Pettinger
  Pages 76-79 

17.   
 Formation of di-oxygen species on Ag anion clusters,
 Young Dok Kim and Gerd Gantefor
 Pages 80-83

18.   
 Ab initio MRD-CI study on the low-lying excited states of ClNO2, 
 Antonija Lesar, Milan Hodoek, Max Muhlhauser and Sigrid D. Peyerimhoff
 Pages 84-88 

19.   
 Relaxation processes in electronic states of conjugated polymers
 studied via spectral hole-burning at low temperature, 
 Yu. V. Romanovskii, H. Bassler and U. Scherf
 Pages 89-94 

20.   
 Fullerene-like cages versus alternant cages: isomer stability
 of B13N13, B14N14, and B16N16, 
 Douglas L. Strout
 Pages 95-98 

21.   
 A fast method for the measurement of long spin–lattice
 relaxation times by single scan inversion recovery experiment, 
 Rangeet Bhattacharyya and Anil Kumar
 Pages 99-103

22.   
 Single-walled carbon nanotubes produced by catalytic chemica
 l vapor deposition of acetylene over Fe–Mo/MgO catalyst, 
 B. C. Liu, S. C. Lyu, S. I. Jung, H. K. Kang, C. -W. Yang, J. W. Park, 
 C. Y. Park and C. J. Lee
 Pages 104-108

23.   
 Exchange representations in Kohn–Sham NMR shielding
 calculations, 
 Andrew M. Teale and David J. Tozer
 Pages 109-114  

24.   
 Density-functional calculations of NMR shielding constants using
 the localized Hartree–Fock method,
 Wolfgang Hieringer, Fabio Della Sala and Andreas Gorling
 Pages 115-121

25.   
 Effect of solvation on the condensed Fukui function and the
 generalized philicity index, 
J. Padmanabhan, R. Parthasarathi, U. Sarkar, 
V. Subramanian and P. K. Chattaraj
Pages 122-128 

26.   
 Gas-phase deposition of acetonitrile: an attempt to understand
 Ostwald's step rule on a molecular basis, 
 Heinz Tizek, Hinrich Grothe and Erich Knozinger
 Pages 129-133 

27.   
 Car–Parrinello molecular dynamics simulation of base-catalyzed
 amide hydrolysis in aqueous solution, 
 Dirk Zahn
 Pages 134-137 

28.   
 Remarkable influence of fluorine substitution on electronic and
 thermochemical properties of phospholes,
 David Delaere, Nguyen-Nguyen Pham-Tran and Minh Tho Nguyen
 Pages 138-142 

29.   
 Radiative transition probabilities and lifetimes for the band systems
 (1) 3–X 3- and (2) 3-–X 3- of the isovalent molecules
 BeC, MgC, and CaC,
 Marina Pelegrini, Orlando Roberto-Neto, Fernando R. Ornellas and
 Francisco B. C. Machado
 Pages 143-148 

30.   
 Vibrations of bromofullerene C60Br24: C60 cage confined into static
 bromine sphere,  
 A. A. Popov, V. M. Senyavin and A. A. Granovsky
 Pages 149-155

31.   
 Hot-atom chemiluminescence: a beam study of the N*(2D) + CH4
 system, 
 A. Kowalski, B. Pranszke and Ch. Ottinger
 Pages 156-160 

32.   
 Visible photoluminescence from nearly monodispersed Au12
 clusters protected by meso-2,3-dimercaptosuccinic acid,
 Yuichi Negishi and Tatsuya Tsukuda
 Pages 161-165 

33.   
 On the role of spectral diffusion of excitons in sensitized
 photoconduction in conjugated polymers, 
 Vladimir I. Arkhipov, Evgenia V. Emelianova and Heinz Bassler
 Pages 166-170 

34.   
 Effect of non-bonding molecular orbitals on total -electron energy, 
 Ivan Gutman, Nataa Cmiljanovi, Svetlana Milosavljevi
 and Slavko Radenkovi
 Pages 171-175 

35.   
 Vibrational energy relaxation and reorientation of azide ion
 pairs in DMSO,
 Q. Zhong and J. C. Owrutsky
 Pages 176-180

36.   
 A proposal for a new local hardness as selectivity index,  
 Lorena Meneses, William Tiznado, Renato Contreras
 and Patricio Fuentealba
 Pages 181-187

37.   
 Scanning tunneling microscopy observation of coiled aluminum
 nitride nanotubes, 
 C. Balasubramanian, S. Bellucci, P. Castrucci,
 M. De Crescenzi and S. V. Bhoraskar
 Pages 188-191 

38.   
 Basis set and method dependence of the relative energies
 of C2S2H2 isomers*1, 
 Dolly Vijay, U. Deva Priyakumar and G. Narahari Sastry
 Pages 192-197 

39.   
 Concerted elimination of CH2I2 and CH2ICl under intense
 femtosecond laser excitation, 
 Zhen-Hong Liu, Yan-Qiu Wang, Jian-Jun Ma, 
 Li Wang and Guo-Zhong He
 Pages 198-202 

40.   
 An approximation for hindered rotor state energies,  
John R. Barker and Colleen N. Shovlin
 Pages 203-207

41.   
 Pyridine intercalative sonochemical synthesis and characterization
 of -Bi2Mo3O12 phase nanorods, 
 Anil Vithal Ghule, Kalyani Anil Ghule, Shin-Hwa Tzing, Jia-Yaw Chang,
 Hua Chang and Yong-Chien Ling
 Pages 208-213 

42.   
 Editorial board, 
 Page CO2