Chemical Physics Letters, 2004, V 398, N 4-6, 11 November.

 
1.   
 Density functional theory studies of correlations
 between structure, binding energy, and 
 dipole polarizability in Si9 and Si12  ; 
 Daisy Y. Zhang, Didier B;gu; and Claude Pouchan
 Pages 283-286 
 
2.   
 Stark quantum defect orbital ionisation
 thresholds for the n = 15;20 states of sodium  ; 
 J.M. Men;ndez, I. Mart;n and A.M. Velasco
 Pages 287-291
 
3.   
 Calculation of the optical spectrum of the
 Ti8C12 and V8C12 Met-Cars  ; 
 J.I. Mart;nez, A. Castro, A. Rubio, 
 J.M. Poblet and J.A. Alonso
 Pages 292-296 
 
4.   
 A reexamination of the chemisorption
 and desorption of ozone on the 
 exterior of a (5,5) single-walled
 carbon nanotube  ; 
 W.L. Yim and Z.F. Liu
 Pages 297-303
 
5.   
 First-principle study on the chromium
 doping effect on the crystal 
 structure of metallic VO2  ; 
 Mei Pan, Hongmei Zhong, 
 Shao_wei Wang, Zhifeng Li, 
 Xiaoshuang Chen and Wei Lu
 Pages 304-307
 
6.   
 Ultrafast dynamics of the excitons
 in a series of axially and bridged
 substituted phthalocyanine thin films  ; 
 Rong-Yi Zhu, Yu Chen, Jiong Zhou, 
 Bo Li, Wei-Min Liu, Shi-Xiong Qian,
 Michael Hanack, Yasuyuki Araki 
 and Osamu Ito
 Pages 308-312 
 
7.   
 The nonadiabatic quantum dynamics
 of the F(2P1/2, 2P3/2) + HD reaction 
 on modified Alexander, Stark, and
 Werner potential energy surfaces  ; 
Ting-Xian Xie, Yan Zhang and Ke-Li Han
 Pages 313-317 
 
8.   
 A class of new 2-D graphical
 representation of DNA sequences 
 and their application  ; 
 Yu-hua Yao and Tian-ming Wang
 Pages 318-323
 
9.   
 A correlation of spectroscopic
 parameters from different magnetic
 resonance spectroscopies for
 thiazides: a study by NQR,
 NMR, EPR and DFT methods  ; 
 J.N. Latositska
 Pages 324-329 
 
10.   
 A DFT rationalization of the room 
 temperature photoluminescence 
 of Li2TiSiO5  ; 
 E. Orhan, V.C. Albarici, M.T. Escote,
 M.A.C. Machado, P.S. Pizani, 
 E.R. Leite, J.R. Sambrano,
 J.A. Varela and E. Longo
 Pages 330-335
 
11.   
 Photo-oxidation of lipids by 
 singlet oxygen: a theoretical study  ; 
 Ismael Tejero, Angels Gonzalez-Lafont, 
 Jos; M. Lluch and Leif A. Eriksson
 Pages 336-342 
 
12.   
 Fluorescent enhancement effect
 in terbium;gadolinium;protein;
 cetylpyridine bromide system and 
 its application for the determination
 of protein at nanogram level  ; 
 Changxia Sun, Jinghe Yang, 
 Xia Wu, Benyu Su and Shufang Liu
 Pages 343-350 
 
13.   
 Two-color two-photon REMPI and 
 ZEKE spectroscopy of supersonically 
 cooled o-aminobenzoic acid  ; 
 Chengyin Wu, Yonggang He and Wei Kong
 Pages 351-356
 
14.   
 OBHe+: a remarkably stable singly
 charged cation containing helium  ; 
 Stefano Borocci, Nicoletta Bronzolino
 and Felice Grandinetti
 Pages 357-360
 
15.   
 Toward computation of bulk 
 quadrupolar signals in vibrational
 sum frequency generation
 spectroscopy  ; 
 Akihiro Morita
 Pages 361-366
 
16.   
 Mobility of electrons and holes 
 in a liquid crystalline perylene 
 diimide thin film with time of
 flight technique  ; 
 Jung Yong Kim, In Jae Chung, 
 Young Chul Kim and Jae-Woong Yu
 Pages 367-371  
 
17.   
 Green upconversion fluorescence
 in terbium coordination complexes  ; 
 Li Luo, Winnie Po-Wan Lai, 
 Ka-Leung Wong, Wing-Tak Wong, 
 King-Fai Li and Kok-Wai Cheah
 Pages 372-376 
 
18.   
 Structural relaxation as a forked road
 to crystallization and glass transition
 of vapor-deposited amorphous 
 molecular systems  ; 
 Kikujiro Ishii, Masaki Takei, 
 Masatsugu Yamamoto and Hideyuki Nakayama
 Pages 377-383
 
19.   
 Bandwidth of excitons in LH2 
 bacterial antenna chromoproteins  ; 
 Kiu Timpmann, Gediminas Trinkunas, 
 John D. Olsen, C. Neil Hunter 
 and Arvi Freiberg
 Pages 384-388
 
20.   
 Ultraviolet photoelectron spectra of Tb@C82  ; 
 Kentaro Iwasaki, Norihiko Wanita, 
 Shojun Hino, Daisuke Yoshimura, 
 Toshiya Okazaki and Hisanori Shinohara
 Pages 389-392
 
21.   
 Giant electrorheological activity of
 high surface area mesoporous 
 cerium-doped TiO2 templated 
 by block copolymer  ; 
 Jian Bo Yin and Xiao Peng Zhao
 Pages 393-399 
 
22.   
 A 40-fs time-resolved absorption
 study on cis-stilbene in solution: 
 observation of wavepacket motion
 on the reactive excited state  ; 
 Kunihiko Ishii, Satoshi Takeuchi
 and Tahei Tahara
 Pages 400-406 
 
23.   
 Ab initio equation-of-motion coupled-cluster
 molecular dynamics with;on-the-fly; diabatization: 
 the doublet-like feature in the 
 photoabsorption spectrum of ethylene  ; 
 Heechol Choi, Kyoung Koo Baeck and Todd J. Martinez
 Pages 407-413 
 
24.   
 Mesoporosity in diatoms via surfactant
 induced silica rearrangement  ; 
 Christabel E. Fowler, Yannick Hoog, 
 Loc Vidal and Benedicte Lebeau
 Pages 414-417
 
25.   
 Orientations of two coupled molecules  ; 
 Y.Y. Liao, Y.N. Chen and D.S. Chuu
 Pages 418-421
 
26.   
 Paramagnetic relaxation of 
 adamantane radical cation in solution  ; 
 V.I. Borovkov and Yu.N. Molin
 Pages 422-426
 
27.   
 Temperature dependence on magnetic
 field effects on the decay rates of triplet
 biradical photogenerated from 
 intramolecular electron-transfer
 in a phenothiazine-C60 linked compound  ; 
 Shinya Moribe, Hiroaki Yonemura and Sunao Yamada
 Pages 427-433 
 
28.   
 Variational reduced-density-matrix theory:
 strength of Hamiltonian-dependent
 positivity conditions  ; 
 Gergely Gidofalvi and David A. Mazziotti
 Pages 434-439
 
29.   
 General features of the polyene references
 graph-theoretically defined for fullerenes  ; 
Jun-ichi Aihara and Hideaki Kanno
 Pages 440-444 
 
30.   
 Change in analytic structure of first-order 
 density matrix as a functional of electron
 density due to inter-p correlation: 
 a two-electron model example  ; 
 Norman H. March and Angel Rubio
 Pages 445-448 
 
31.   
 Electronic structures of InTaO4, 
 a promising photocatalyst  ; 
 Hyunju Chang, Kijeong Kong,
 Yong Soo Choi, Eunjeong In, 
 Youngmin Choi, Jin-Ook Baeg 
 and Sang-Jin Moon
 Pages 449-452 
 
32.   
 The possibility of selection of 
 molecules embedded in 
 superfluid helium nanodroplets  ; 
 V.N. Lokhman and G.N. Makarov
 Pages 453-458
 
33.   
 Femtosecond spectroscopy of the 
 hydrated electron: novel 
 eatures in the infrared  ; 
 A. Thaller, R. Laenen 
 and A. Laubereau
 Pages 459-465 
 
34.   
 Chemical shifts calculations on
 aromatic systems: a comparison
 of models and basis sets  ; 
 Claudio F. Tormena and 
 Gil V.J. da Silva
 Pages 466-470 
 
35.   
 Rotary echoes in nitrogen-14
 quadrupolar spin-system  ; 
T.N. Rudakov
 Pages 471-475
 
36.   
 Quasi-ballistic electron transport 
 in double-wall carbon nanotubes  ; 
 Hisashi Kajiura, Houjin Huang 
 and Alexey Bezryadin
 Pages 476-479
 
37.   
 Thermal transport in liquid and 
 glassy water computed with normal modes  ; 
 Xin Yu and David M. Leitner
 Pages 480-485 
 
38.   
 A new approach to simulate the 
 depolymerization process of a 
 two-dimensional hexagonal C60 polymer  ; 
Jing Lu, Shigeru Nagase, 
Shuang Zhang and Lianmao Peng
 Pages 486-488
 
39.   
 Effect of polymer chain-length 
 polydispersity on the phase behavior
 of model athermal mixtures of 
 colloids and flexible self-excluding
 polymers  ; 
 Patrice Paricaud, Szabolcs Varga, 
 Peter T. Cummings and George Jackson
 Pages 489-494 
 
40.   
 Nonlinear propagation of ultrashort 
 pulses in cyanine dye solution
 investigated by SHG FROG  ; 
 Atsushi Yabushita, Takao Fuji 
 and Takayoshi Kobayashi
 Pages 495-499 
 
41.   
 Novel luminescent Eu(III) complex
 with remarkably narrow emission band  ; 
 Kazuki Nakamura, Yasuchika Hasegawa, 
 Yuji Wada and Shozo Yanagida
 Pages 500-504
 
42.   
 In situ fabrication of dispersed, 
 crystalline platinum nanops 
 embedded in carbon nanofibers  ; 
 Lei Zhang, Bin Cheng and Edward T. Samulski
 Pages 505-510 
 
43.   
 Comparative theoretical study of the
 mechanisms of generation of 
 rotational strengths in the 
 near-UV in 2;-lactamases from class A  ; 
Tatyana Karabencheva and Christo Christov
 Pages 511-516 
 
44.   
 NMR measurement of smectic ordering
 and nematic;smectic-A coupling in a liquid crystal  ; 
 Anand Yethiraj, Zhengmin Sun, 
 Ronald Y. Dong and E. Elliott Burnell
 Pages 517-521
 
45.   
 Backbone dynamics in collagen  ; 
 Abil E. Aliev
 Pages 522-525 
 
46.   
 Femtosecond time-resolved analysis
 of the photophysics of the indole molecule  ; 
 H. Lippert, H.-H. Ritze, 
 I.V. Hertel and W. Radloff
 Pages 526-531 
 
47.   
 Direct spectral optimisation of proton;proton
 homonuclear dipolar decoupling
 in solid-state NMR  ; 
Benedicte Elena, Gal de Pape and Lyndon Emsley
Pages 532-538 
 
48.   
 The effects of changes in the electronic
 environment of the 2-aminopyridine;
 argon van der Waals complex  ; 
 David E. Belcher and Martin C.R. Cockett
 Pages 539-543
 
49.   
 Microwave spectrum of Ne:HBr: structural
 perspectives on Rg:HX, Rg = Ne, Ar, Kr; X = F, Cl, Br, I  ; 
 R.R. Lucchese, J.W. Bevan and F.J. Lovas
 Pages 544-552
 
50.   
 Chemical reactivity and redox property of Sc3@C82  ; 
 Takatsugu Wakahara, Akihiro Sakuraba, 
 Yuko Iiduka, Mutsuo Okamura, Takahiro Tsuchiya, 
 Yutaka Maeda, Takeshi Akasaka, Shingo Okubo, 
 Tatsuhisa Kato, Kaoru Kobayashi et al.
 Pages 553-556
 
51.   
 The rate constant of the reaction of H 
 with tert-butyl alcohol in aqueous 
 solution revisited  ; 
  M.S. Alam and E. Janata
 Pages 557-559
 
52.   
 The enormous apparent gas-phase
 acidity of cubylamine  ; 
 Jos;-Luis M. Abboud, Ibon Alkorta, 
 Peeter Burk, Juan Z. Davalos, 
 Esther Quintanilla, Ernest W. Della, 
 Ilmar A. Koppel and Ivar Koppel
 Pages 560-563
 
53.   
 Vibrational hot bands of linear C4 
 and C5 arising from a bending
 vibration with two quanta in the
 lowest bend: the (;3 + 2;5) ; 25 band of C4
 and the (3 + 2) ; 27 band of C5  ; 
 S. Gakwaya, Z. Abusara and 
 N. Moazzen-Ahmadi
 Pages 564-571 
 
54.   
 Author Index  ; 
 Pages 572-581 
 
55.   
 Editorial board  ;
 EDITORIAL BOARD
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