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Volume 389; Issue 4-6

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Chemical Physics Letters
Volume 389; Issue 4-6

Chemical Physics Letters

Volume 389; Issue 4-6

1

Changes in excitation profiles of surface-enhanced resonance Raman scattering induced by changes in surface plasmon resonance of single Ag nano-aggregates

Tamitake Itoh, Kazuhiro Hashimoto, Akifumi Ikehata, Yukihiro Ozaki

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 348 KB

english, 2004

2

Erratum to: `Ultrafast relaxation dynamics of charge carriers relaxation in ZnO nanocrystalline thin films' [Chem. Phys. Lett. 387 (2004) 176–181]

Christophe Bauer, Gerrit Boschloo, Emad Mukhtar, Anders Hagfeldt

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 112 KB

english, 2004

3

Interstitial nanopore change of single wall carbon nanohorn assemblies with high temperature treatment

T. Ohba, T. Omori, H. Kanoh, M. Yudasaka, S. Iijima, K. Kaneko

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 206 KB

english, 2004

4

A DFT study for the coadsorption of Na and NO on TiO2(1 1 0) surface

Kainig Ding, Junqian Li, Yongfan Zhang, Wenfeng Wang

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 325 KB

english, 2004

5

Kinetics of C2 (a3Πu) reactions with sulfur containing molecules

Cunshun Huang, Dongfeng Zhao, Linsen Pei, Congxiang Chen, Yang Chen

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 247 KB

english, 2004

6

Simulation of hydrated Li+-, Na+- and K+-montmorillonite/polymer nanocomposites using large-scale molecular dynamics

Pascal Boulet, Peter V. Coveney, Stephen Stackhouse

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 353 KB

english, 2004

7

The unusual electrochemical characteristics of a novel three-dimensional ordered bicontinuous mesoporous carbon

Tao Wang, Xiaoying Liu, Dongyuan Zhao, Zhiyu Jiang

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 289 KB

english, 2004

8

Efficient focusing of hard X-rays generated by femtosecond laser driven plasma

I.V. Tomov, J. Chen, X. Ding, P.M. Rentzepis

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 186 KB

english, 2004

9

Complex-band structure: a method to determine the off-resonant electron transport in oligomers

Giorgos Fagas, Agapi Kambili, Marcus Elstner

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 293 KB

english, 2004

10

The geometrical isotope effect of C–H⋯O type hydrogen bonds revealed by multi-component molecular orbital calculation

T. Udagawa, T. Ishimoto, H. Tokiwa, M. Tachikawa, U. Nagashima

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 175 KB

english, 2004

11

Doubly contracted CI method

Yubin Wang, Binbin Suo, Gaohong Zhai, Zhenyi Wen

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 193 KB

english, 2004

12

Prediction of a threshold density of atomic hydrogen for nanocrystalline diamond growth at low pressures

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 249 KB

english, 2004

13

Nuclear degrees of freedom in calculated isotropic hyperfine coupling constants of the ethyl radical: a Feynman path integral – ab initio study

Joachim Schulte, Michael C. Böhm, Telesforo López-Ciudad, Rafael Ramı́rez

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 251 KB

english, 2004

14

Photoelectron spectroscopy and density functional theory calculation of Nan(CS2)− cluster negative ions for n=1 and 2

Fuminori Misaizu, Hironori Tsunoyama, Yuichiro Yasumura, Keijiro Ohshimo, Koichi Ohno

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 332 KB

english, 2004

15

Orientational ordering of alkyl chain at the air/liquid interface of ionic liquids studied by sum frequency vibrational spectroscopy

Toshifumi Iimori, Takashi Iwahashi, Hisao Ishii, Kazuhiko Seki, Yukio Ouchi, Ryosuke Ozawa, Hiro-o Hamaguchi, Doseok Kim

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 215 KB

english, 2004

16

Photoelectron spectroscopy of pyrene cluster anions, (pyrene)n− (n=1–20)

Naoto Ando, Shinsuke Kokubo, Masaaki Mitsui, Atsushi Nakajima

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 243 KB

english, 2004

17

Cyclic and bent electronic states of the N3+ ion

Riccardo Tarroni, Paolo Tosi

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 277 KB

english, 2004

18

Structures and defects of WO3−x nanorods grown by in-situ heating tungsten filament

Huairuo Zhang, Min Feng, Fei Liu, Libao Liu, Hanyuan Chen, Hongjun Gao, Jianqi Li

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 426 KB

english, 2004

19

Surface topographical changes and chemical wave patterns in catalytic CO oxidation on Pt(1 1 0)

Han Wei, G. Lilienkamp, R. Imbihl

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 411 KB

english, 2004

20

Effect of oxygen chemisorption on the energy band gap of a chiral semiconducting single-walled carbon nanotube

Verónica Barone, Jochen Heyd, Gustavo E. Scuseria

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 189 KB

english, 2004

21

Surface-enhanced Raman scattering of thiourea adsorbed on the silver electrode: bond polarizability derivatives as elucidated from the Raman intensities

Zhaojun Liu, Guozhen Wu

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 251 KB

english, 2004

22

Molecular calculations with two-center correlated orbitals

Marlan O. Scully, Roland E. Allen, Yusheng Dou, Kishore T. Kapale, Moochan Kim, Goong Chen, Anatoly Svidzinsky

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 245 KB

english, 2004

23

Optical limiting and enhanced optical nonlinearity in boron-doped carbon nanotubes

Jianfeng Xu, Min Xiao, R. Czerw, David L. Carroll

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 177 KB

english, 2004

24

Ion–molecule reactions of W+ and WO+: new and improved values for IE(WO), D298(W+–O), D298(W–O) and ΔfH0298(WO)

Voislav Blagojevic, Gregory K. Koyanagi, Vitali V. Lavrov, Galina Orlova, Diethard K. Bohme

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 207 KB

english, 2004

25

Semi-empirical calculation of second Kerr-effect virial coefficients of atoms and small molecules

Uwe Hohm, Lydia Zarkova

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 199 KB

english, 2004

26

A comparative study of Kohn–Sham, Brueckner and Hartree–Fock orbitals

K. Jankowski, K. Nowakowski, J. Wasilewski

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 184 KB

english, 2004

27

Photodissociation of gaseous metal ion–nucleobase complexes: Mg+-uracil and Mg+-thymine

Haichuan Liu, Ju-Long Sun, Yihua Hu, Ke-Li Han, Shihe Yang

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 312 KB

english, 2004

28

Pump–probe lifetime measurements on singlet ungerade states in molecular nitrogen

J.P. Sprengers, A. Johansson, A. L'Huillier, C.-G. Wahlström, B.R. Lewis, W. Ubachs

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 208 KB

english, 2004

29

Order of Coulomb and Fermi pairs: application in a π-system

Padeleimon Karafiloglou, Christos Panos

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 167 KB

english, 2004

30

Mimicking electrostatic interactions with a set of effective charges: a genetic algorithm

Roberto Berardi, Luca Muccioli, Silvia Orlandi, Matteo Ricci, Claudio Zannoni

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 245 KB

english, 2004

31

Quantum-chemical and experimental kinetical investigation of the porphyrin diacids: role of the counterions in non-radiative deactivation of the excited electronic states

I.V. Avilov, A.Yu. Panarin, V.S. Chirvony

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 286 KB

english, 2004

32

A comparative density functional study of the torsional potential of 4-fluoro (trifluoromethoxy)benzene and related species

Martina Kieninger, Oscar N. Ventura, Geerd H.F. Diercksen

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 279 KB

english, 2004

33

A connectivity table for cluster similarity checking in the evolutionary optimization method

Longjiu Cheng, Wensheng Cai, Xueguang Shao

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 293 KB

english, 2004

34

Gauge invariance of oscillator strengths in the approximate coupled cluster triples model CC3

Filip Pawłowski, Poul Jørgensen, Christof Hättig

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 237 KB

english, 2004

35

A computational study of the weakly bound dimers XBeH⋯HArF (X=H, F, Cl and Br)

Mohammad Solimannejad, Abderrahim Boutalib

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 158 KB

english, 2004

36

Theoretical study of incorporating 6-thioguanine into a guanine tetrad and their influence on the metal ion–guanine tetrad

Fancui Meng, Weiren Xu, Chengbu Liu

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 301 KB

english, 2004

37

Recombination of geminate (OH, eaq−) pairs in concentrated alkaline solutions: lack of evidence for hydroxyl radical deprotonation

Rui Lian, Robert A. Crowell, Ilya A. Shkrob, David M. Bartels, Dmitri A. Oulianov, David Gosztola

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 231 KB

english, 2004

38

Femtosecond dynamics of electron photodetachment of the fluoride anion in liquid water

H. Iglev, R. Laenen, A. Laubereau

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 253 KB

english, 2004

39

Experimental chloride ion affinities and theoretical predictions for the absolute heats of formation of SiCl2 and SiClF

John C Poutsma, Olivia E Schroeder, Robert R Squires

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 180 KB

english, 2004

40

Negative electric field dependence of charge carrier drift mobility in conjugated, semiconducting polymers

Attila J. Mozer, Niyazi Serdar Sariciftci

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 203 KB

english, 2004

41

Hystereses of volume changes in liquid single crystal elastomers swollen with low molecular weight liquid crystal

Yusril Yusuf, P. E. Cladis, Helmut R. Brand, Heino Finkelmann, Shoichi Kai

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 266 KB

english, 2004

42

Editorial board

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 44 KB

english, 2004

43

Author index

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 150 KB

english, 2004