Volume 390; Issue 4-6

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Chemical Physics Letters
Volume 390; Issue 4-6

Chemical Physics Letters

Volume 390; Issue 4-6

1

A density functional theory study applied for carbon and oxygen isotope effects in the system Ni(CO)4/CO

Yuriko Ono, Yasuhiko Fujii, Takanobu Ishida

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 188 KB

english, 2004

2

Partially and fully deprotonated sulfuric acid in H2SO4(H2O)n (n=6–9) clusters

Chang-Geng Ding, Kari Laasonen

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 434 KB

english, 2004

3

Time resolved resonance Raman studies on triplet excited state of 2-methoxy-naphthalene by photo-sensitization

Himansu Mohapatra, Siva Umapathy

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 336 KB

english, 2004

4

Two-photon absorption properties of star-shaped molecules containing peripheral diarylthienylamines

Sean Liu, Kuen Shen Lin, Victor M. Churikov, Yi Zhen Su, Jiann T'suen Lin, Tzer-Hsiang Huang, Chia Chen Hsu

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 206 KB

english, 2004

5

The role of the 11Bu− state in carotenoid-to-bacteriochlorophyll singlet-energy transfer in the LH2 antenna complexes from Rhodobacter sphaeroides G1C, Rhodobacter sphaeroides 2.4.1, Rhodospirillum molischianum and Rhodopseudomonas acidophila

Ferdy S. Rondonuwu, Kyosuke Yokoyama, Ritsuko Fujii, Yasushi Koyama, Richard J. Cogdell, Yasutaka Watanabe

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 502 KB

english, 2004

6

Near infrared absorptions of CH4/He plasma: the Phillips band system of C2

Man-Chor Chan, Shun-Hin Yeung, Yuen-Yee Wong, Yongfang Li, Wang-Ming Chan, Kan-Hing Yim

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 377 KB

english, 2004

7

In situ characterization of surface physicochemical properties of carbon nanofibers using 1-naphthol as a fluorescent probe

Hiromasa Nishikiori, Nobuaki Tanaka, Satoshi Kubota, Morinobu Endo, Tsuneo Fujii

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 230 KB

english, 2004

8

Nano-scale effects in electrochemistry

J. Meier, J. Schiøtz, P. Liu, J.K. Nørskov, U. Stimming

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 298 KB

english, 2004

9

Solvent-mediated tautomerization of purine: single to quadruple proton transfer

Doo-Sik Ahn, Sungyul Lee, Bongsoo Kim

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 399 KB

english, 2004

10

CCSDT and CCSD(T) calculations on model H-bonded and stacked complexes

Jiřı́ Pittner, Pavel Hobza

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 174 KB

english, 2004

11

Energy distributions of CO produced in an acetone-containing discharge

Peng Li, Wai Yip Fan

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 188 KB

english, 2004

12

Identification of the point defects in diamond as measured by Raman spectroscopy: comparison between experiment and computation

S. Prawer, Irina Rosenblum, J.O. Orwa, Joan Adler

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 212 KB

english, 2004

13

An efficient algorithm for calculating whole-profile functions in crystal structure solution from powder diffraction data

Scott Habershon, Eugene Y. Cheung, Kenneth D.M. Harris, Roy L. Johnston

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 184 KB

english, 2004

14

Switching dynamics of the photochromic 1,1-dicyano-2-(4-cyanophenyl)-1,8a-dihydroazulene probed by sub-30 fs spectroscopy

Vincent De Waele, Matthias Beutter, Uli Schmidhammer, Eberhard Riedle, Jörg Daub

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 953 KB

english, 2004

15

Evidence for two light-induced metastable states in Cl3[Ru(NH3)5NO]H2O

D. Schaniel, T. Woike, C. Boskovic, H.-U. Güdel

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 305 KB

english, 2004

16

Structural evolutions of carbon nano-peapods under electron microscopic observation

Alexandre Gloter, Kazutomo Suenaga, Hiromichi Kataura, Ryosuke Fujii, Takeshi Kodama, Hiroyuki Nishikawa, Isao Ikemoto, Koichi Kikuchi, Shinzo Suzuki, Yohji Achiba, Sumio Iijima

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 445 KB

english, 2004

17

A periodic first principle study to design microporous crystal 12MO, 7Al2O3 for selective and active O− radicals encaging

Abhijit Chatterjee, Masateru Nishioka, Fujio Mizukami

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 412 KB

english, 2004

18

Towards the understanding of the spectroscopic behaviour of the C–H oscillator in C–H⋯O hydrogen bonds: the effect of solvent polarity

Paulo J.A. Ribeiro-Claro, Pedro D. Vaz

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 332 KB

english, 2004

19

Charge separation at the rutile/anatase interface: a dominant factor of photocatalytic activity

Takahira Miyagi, Masayuki Kamei, Takefumi Mitsuhashi, Takamasa Ishigaki, Atsushi Yamazaki

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 222 KB

english, 2004

20

A new alligator-clip compound for molecular electronics

Timo Jacob, Mario Blanco, William A. Goddard III

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 301 KB

english, 2004

21

Theoretical calculational studies on the mechanism of thermal dissociations for RN3 (R=CH3, CH3CH2, (CH3)2CH, (CH3)3C)

Yanli Zeng, Qiao Sun, Lingpeng Meng, Shijun Zheng, Dianxun Wang

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 676 KB

english, 2004

22

Impedance spectroscopy of the electrode-tissue interface of living heart with isoösmotic conductivity perturbation

Marc Ovadia, Daniel H. Zavitz

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 549 KB

english, 2004

23

Yb3+ ion as a sensitizer for the upconversion luminescence in nanocrystalline Gd3Ga5O12:Ho3+

J.C. Boyer, F. Vetrone, J.A. Capobianco, A. Speghini, M. Bettinelli

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 213 KB

english, 2004

24

Nuclear magnetic resonance shielding tensors calculated with kinetic energy density-dependent exchange-correlation functionals

Sergey N. Maximoff, Gustavo E. Scuseria

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 163 KB

english, 2004

25

State-to-state dissociation rate coefficients in electronically excited diatomic gases

A. Aliat, Elena V. Kustova, A. Chikhaoui

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 261 KB

english, 2004

26

Determination of the first ionization energy of furan (C4H4O) from an extrapolation of two nd Rydberg series observed in the mass-resolved (2 + 1) resonance enhanced multiphoton ionization spectrum

Trevor Ridley, Kenneth P. Lawley, Mohamed H.S.N. Al-Kahali, Robert J. Donovan

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 216 KB

english, 2004

27

Intermediate phase upon alloying Au–Ag nanoparticles under laser exposure of the mixture of individual colloids

A.T. Izgaliev, A.V. Simakin, G.A. Shafeev, F. Bozon-Verduraz

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 307 KB

english, 2004

28

The role of vacancy defects and holes in the fracture of carbon nanotubes

Steven L. Mielke, Diego Troya, Sulin Zhang, Je-Luen Li, Shaoping Xiao, Roberto Car, Rodney S. Ruoff, George C. Schatz, Ted Belytschko

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 316 KB

english, 2004

29

Two-photon absorption investigation in reduced and oxidized cytochrome c solutions

A.A. Andrade, N.M. Barbosa Neto, L. Misoguti, L. De Boni, S.C. Zilio, C.R. Mendonça

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 223 KB

english, 2004

30

Force acting on the microparticles in electrorheological solids under the application of a nonuniform ac electric field

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 201 KB

english, 2004

31

Comparison between semiclassical and composite absorbing potentials

J.G. Muga, B. Navarro

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 184 KB

english, 2004

32

Endohedral complexes of C58 cage with H2 and CO

Yun Hang Hu, Eli Ruckenstein

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 177 KB

english, 2004

33

Complexes of cationic coinage metal clusters Mn+ (M=Cu, Ag, Au; n=1–4) and H2S: a theoretical study

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 171 KB

english, 2004

34

Electron-ion recombination in dense gaseous and liquid argon: effects due to argon cation clusters allow to explain the experimental data

Mariusz Wojcik, M. Tachiya

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 204 KB

english, 2004

35

Degradation of vitamin C by low-energy electrons

Hassan Abdoul-Carime, Eugen Illenberger

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 167 KB

english, 2004

36

Newly developed ab initio fitted potentials for molecular dynamics simulations of n-pentane in the zeolite silicalite-1

A Loisruangsin, S Fritzsche, S Hannongbua

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 305 KB

english, 2004

37

Impact of receptor conformation on in silico screening performance

H. Merlitz, B. Burghardt, W. Wenzel

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 239 KB

english, 2004

38

A molecular dynamics study on the conformational stability of PrP 180–193 helix II prion fragment

M. Pappalardo, D. Milardi, C. La Rosa, C. Zannoni, E. Rizzarelli, D. Grasso

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 458 KB

english, 2004

39

Editorial board

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 44 KB

english, 2004

40

Author index

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 162 KB

english, 2004

41

The entry pathway of O2 into human ferritin

Lucio Colombi Ciacchi, Mike C Payne

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 268 KB

english, 2004