Volume 409; Issue 4-6

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Chemical Physics Letters
Volume 409; Issue 4-6

Chemical Physics Letters

Volume 409; Issue 4-6

1

Ab initio modelling of neutral and cationic Hg–benzene complexes

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 255 KB

english, 2005

2

Structural arrangement and dynamics of the hydrated Mg2+: An ab initio QM/MM molecular dynamics simulation

Anan Tongraar, Bernd Michael Rode

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 295 KB

english, 2005

3

The first example of a cage critical point in a single ring: A novel twisted α-helical ring topology

Norberto Castillo, Chérif F. Matta, Russell J. Boyd

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 258 KB

english, 2005

4

Dissociative ionization of the nucleosides thymidine and uridine by electron impact

S. Ptasińska, P. Candori, S. Denifl, S. Yoon, V. Grill, P. Scheier, T.D. Märk

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 532 KB

english, 2005

5

Water bilayer on the Pd/Au(1 1 1) overlayer system: Coadsorption and electric field effects

Ata Roudgar, Axel Groß

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 288 KB

english, 2005

6

Enthalpies of formation of isoprene’s major oxidation byproducts

Montserrat Ochando-Pardo, Ignacio Nebot-Gil, Àngels González-Lafont, José M. Lluch

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 157 KB

english, 2005

7

Gas-phase FT-IR-spectra of natural amino acids

Rolf Linder, Michael Nispel, Thomas Häber, Karl Kleinermanns

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 994 KB

english, 2005

8

Linear regression correction to first principle theoretical calculations – Improved descriptors and enlarged training set

Xue-Mei Duan, Zhen-Hua Li, Hai-Rong Hu, Guo-Liang Song, Wen-Ning Wang, Guan-Hua Chen, Kang-Nian Fan

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 245 KB

english, 2005

9

Generation and observation of CHF2, CF2, and CF3 in a CF4/He microwave discharge system: A mass spectrometric method

Michel Sablier, Keiichiro Iwase, Gen Sato, Toshihiro Fujii

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 180 KB

english, 2005

10

Structural characterization of mesoporous silica nanowire arrays grown in porous alumina templates

Kewang Jin, Baodian Yao, Ning Wang

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 385 KB

english, 2005

11

Effect of HB complexation on the optical rotatory power of oxiranes

Krzysztof Zborowski, Leonard M. Proniewicz, Ibon Alkorta, José Elguero

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 116 KB

english, 2005

12

Organic-vapor detection using carbon-nanotubes nanocomposite microacoustic sensors

M. Penza, M.A. Tagliente, P. Aversa, G. Cassano

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 393 KB

english, 2005

13

Excitation energy transfer in the antenna system with divinyl-chlorophylls in the vinyl reductase-expressing Arabidopsis

Seiji Akimoto, Makio Yokono, Maiko Ohmae, Iwao Yamazaki, Nozomi Nagata, Ryouichi Tanaka, Ayumi Tanaka, Mamoru Mimuro

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 196 KB

english, 2005

14

Photolysis of butenedial at 193, 248, 280, 308, 351, 400, and 450 nm

Yongxin Tang, Lei Zhu

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 242 KB

english, 2005

15

A modified potential energy surface for the C2H + H2 ↔ C2H2 + H reaction and a theoretical study on its rate constants

Li-Ping Ju, Ting-Xian Xie, Xin Zhang, Ke-Li Han

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 158 KB

english, 2005

16

Real-time observation of hydrogen bond-assisted electron transfer to a DNA base

Anton Trifonov, Ivan Buchvarov, Hans-Achim Wagenknecht, Torsten Fiebig

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 197 KB

english, 2005

17

New relativistic ANO basis sets for actinide atoms

Björn O. Roos, Roland Lindh, Per-Åke Malmqvist, Valera Veryazov, Per-Olof Widmark

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 114 KB

english, 2005

18

Molecular dynamics simulations of the temperature and density dependence of the absorption spectra of hydrated electron and solvated silver atom in water

Anne Boutin, Riccardo Spezia, François-Xavier Coudert, Mehran Mostafavi

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 133 KB

english, 2005

19

Sub-5 fs time-resolved dynamic Franck–Condon overlaps associated with the S1 → S0 stimulated transition in oligothiophene 13-mer

A. Ozawa, K. Takimiya, T. Otsubo, T. Kobayashi

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 377 KB

english, 2005

20

Synthesis and photoluminescence of corn-like ZnO nanostructures under solvothermal-assisted heat treatment

Lei Yang, Guozhong Wang, Chunjuan Tang, Hongqiang Wang, Lide Zhang

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 335 KB

english, 2005

21

Thermochemical study of the liquid phase equilibrium reaction of dihalomethanes by NMR spectroscopy

J.Z. Dávalos, A.F. Lago, Tomas Baer

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 157 KB

english, 2005

22

Fabrication and characterization of field-effect transistor device with C2v isomer of Pr@C82

Takayuki Nagano, Eiji Kuwahara, Toshio Takayanagi, Yoshihiro Kubozono, Akihiko Fujiwara

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 190 KB

english, 2005

23

Selective formation of and by the reactions of nickel cluster cations with oxygen

Ko-ichi Sugawara, Kenji Koga

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 326 KB

english, 2005

24

Any l-state solutions of the Morse potential through the Pekeris approximation and Nikiforov–Uvarov method

Cüneyt Berkdemir, Jiaguang Han

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 124 KB

english, 2005

25

AIM and NBO analyses of N–N rotational barrier in monocyclic nitrosamine compounds

H. Roohi, A. Ebrahimi, F. Alirezapoor, M. Hajealirezahi

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 277 KB

english, 2005

26

A TD-DFT study on triplet excited-state properties of curcumin and its implications in elucidating the photosensitizing mechanisms of the pigment

Liang Shen, Hong-Fang Ji, Hong-Yu Zhang

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 106 KB

english, 2005

27

Electronic dipole polarizability and hyperpolarizability of formic acid

A. Alparone, A. Millefiori, S. Millefiori

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 140 KB

english, 2005

28

A semiclassical 1D model of ultrafast photoisomerization reactions

V.A. Benderskii, E.V. Vetoshkin, E.I. Kats, H.P. Trommsdorff

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 222 KB

english, 2005

29

Band gap variation of size-controlled ZnO quantum dots synthesized by sol–gel method

Kuo-Feng Lin, Hsin-Ming Cheng, Hsu-Cheng Hsu, Li-Jiaun Lin, Wen-Feng Hsieh

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 273 KB

english, 2005

30

Interpretation of vicinal spin–spin coupling constants in ethane via the current-density induced by nuclear magnetic dipoles

A. Soncini, P. Lazzeretti

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 2.13 MB

english, 2005

31

Post-collision interaction and the Auger effect in double photoionisation of germanium compounds

John H.D. Eland

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 252 KB

english, 2005

32

Time-dependent density functional theory for polycyclic aromatic hydrocarbon anions: What is the best approach

Charles W. Bauschlicher Jr.

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 97 KB

english, 2005

33

Dual-level direct dynamics studies on the reactions of OH radicals with SiH3CH3 and SiH4

Hui Zhang, Ze-sheng Li, Jia-yan Wu, Jing-yao Liu, Li Sheng, Chia-chung Sun

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 222 KB

english, 2005

34

Very high sensitivity CW-cavity ring down spectroscopy: Application to the O2 band near 1.58 μm

S. Kassi, D. Romanini, A. Campargue, B. Bussery-Honvault

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 215 KB

english, 2005

35

Synthesis, isolation and spectroscopic characterization of Yb-containing high metallofullerenes

Jianxun Xu, Zhiyong Wang, Zujin Shi, Zhennan Gu

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 251 KB

english, 2005

36

Cation-like Doppler shifts from a neutral molecule in an electrical discharge

Hervé Herbin, Robert Farrenq, Guy Guelachvili, Nathalie Picqué

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 426 KB

english, 2005

37

Effect of hydration on the long-range order of lipid multilayers investigated by in situ time-resolved energy dispersive X-ray diffraction

Ruggero Caminiti, Giulio Caracciolo, Michela Pisani, Paolo Bruni

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 240 KB

english, 2005

38

Editorial board

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 45 KB

english, 2005

39

Author Index

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 152 KB

english, 2005