Volume 415; Issue 4-6

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Chemical Physics Letters
Volume 415; Issue 4-6

Chemical Physics Letters

Volume 415; Issue 4-6

1

Using the Kohn–Sham formalism in pair density-functional theories

Paul W. Ayers, Mel Levy

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 158 KB

english, 2005

2

Electron transfer in collisions between dipole-bound anions and attaching targets

Y. Liu, L. Suess, F.B. Dunning

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 153 KB

english, 2005

3

Optimal feedback control of two-photon fluorescence in Coumarin 515 based on genetic algorithm

Shian Zhang, Zhenrong Sun, Xiangyun Zhang, Yu Xu, Zugeng Wang, Zhizhan Xu, Ruxin Li

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 232 KB

english, 2005

4

Solvent effect on the radical addition reaction to double bond: Experimental and quantum chemical investigations

Jacques Lalevée, Xavier Allonas, Jean Pierre Fouassier, Daniel Rinaldi, Manuel F. Ruiz Lopez, Jean Louis Rivail

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 120 KB

english, 2005

5

Wavelength dependence of the retardation effects in silver nanoparticles followed by polarization resolved hyper Rayleigh scattering

Jérôme Nappa, Isabelle Russier-Antoine, Emmanuel Benichou, Christian Jonin, Pierre-François Brevet

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 166 KB

english, 2005

6

Association of C3H6 to aluminum cluster anions

Denis E. Bergeron, A. Welford Castleman Jr., Naiche O. Jones, Shiv N. Khanna

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 251 KB

english, 2005

7

Unusual properties of aqueous solutions of l-proline: A molecular dynamics study

Monica Civera, Maurizio Sironi, Sandro L. Fornili

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 271 KB

english, 2005

8

Excited-state proton transfer and excited-state de-hydrogen bonding of the push–pull styryl system

Shun-Li Wang, Guo-Yi Gao, Tong-Ing Ho, Li-Yu Yang

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 202 KB

english, 2005

9

Proton transfer in malonaldehyde: From reaction path to Schrödinger’s Cat

François Fillaux, Béatrice Nicolaï

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 246 KB

english, 2005

10

High static pressure alters water-pool properties in reversed micelles formed by aerosol OT (sodium bis(2-ethylhexyl)sulfosuccinate): A high pressure ESR study

Yoshimi Sueishi, Daisuke Yoshioka, Mieko Negi, Yashige Kotake

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 220 KB

english, 2005

11

Acrylate radicals: Direct observation and reactivity

Jacques Lalevée, Xavier Allonas, Jean Pierre Fouassier

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 190 KB

english, 2005

12

Encapsulation and polymerization of acetylene molecules inside a carbon nanotube

Gunn Kim, Yeonju Kim, Jisoon Ihm

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 178 KB

english, 2005

13

Anchor group influence on molecule–metal oxide interfaces: Periodic hybrid DFT study of pyridine bound to TiO2 via carboxylic and phosphonic acid

Mattias Nilsing, Petter Persson, Lars Ojamäe

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 530 KB

english, 2005

14

A covalent fraction model for lanthanide compounds

L.D. Carlos, O.L. Malta, R.Q. Albuquerque

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 233 KB

english, 2005

15

Cubic or monoclinic Y2O3:Eu3+ nanoparticles by one step flame spray pyrolysis

Adrian Camenzind, Reto Strobel, Sotiris E. Pratsinis

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 187 KB

english, 2005

16

No ferromagnetism in Mn doped ZnO semiconductors

J. Alaria, P. Turek, M. Bernard, M. Bouloudenine, A. Berbadj, N. Brihi, G. Schmerber, S. Colis, A. Dinia

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 365 KB

english, 2005

17

Renner–Teller interactions coupled to large spin–orbit splittings: The BrCN+ case

Małgorzata Biczysko, Riccardo Tarroni

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 418 KB

english, 2005

18

Perturbers of the silicon (3s)2(3p)1(md)1 1Do Rydberg series – importance of the spin–orbit interaction

Hiroko Moriyama, Shigeyoshi Yamamoto, Hiroshi Tatewaki

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 128 KB

english, 2005

19

Interactions of uranium atom with tetraketone complexes

Q. Sun, Q. Wang, Y. Shiokawa, Y. Kawazoe

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 214 KB

english, 2005

20

Complete temperature study of the relaxation from the high-spin state to low-spin state in a strongly cooperative spin crossover compound

J. Degert, N. Lascoux, S. Montant, S. Létard, E. Freysz, G. Chastanet, J.-F. Létard

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 314 KB

english, 2005

21

Dipole moment of aniline in the excited S1 state from thermochromic effect on electronic spectra

A. Kawski, B. Kukliński, P. Bojarski

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 244 KB

english, 2005

22

Adsorption of CO2, CH4 and N2 on ordered mesoporous silica molecular sieve

Xiuwu Liu, Jingwen Li, Li Zhou, Desheng Huang, Yaping Zhou

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 184 KB

english, 2005

23

Voltammetric redox potentials of carotenoids associated with the xanthophyll cycle in photosynthesis

Dariusz Niedzwiedzki, James F. Rusling, Harry A. Frank

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 262 KB

english, 2005

24

A novel extremely localized molecular orbitals based technique for the one-electron density matrix computation

Alessandro Genoni, Michela Ghitti, Stefano Pieraccini, Maurizio Sironi

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 175 KB

english, 2005

25

Structure and stability of oligomeric clusters produced in the ionization of acetonitrile

Graziano Guella, Pietro Franceschi, Paolo Tosi

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 298 KB

english, 2005

26

Preparation and conductivity of PEDOT encapsulated inside faujasites

Vicente Fornés, Hermenegildo García, Carlos J. Gómez-García, Encarna Peris

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 113 KB

english, 2005

27

Hydrogen termination for the growth of carbon nanotubes on silicon

Le Thi Trong Tuyen, Phan Ngoc Minh, Emil Roduner, Pham Thi Duong Chi, Takahito Ono, Hidetoshi Miyashita, Phan Hong Khoi, Masayoshi Esashi

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 233 KB

english, 2005

28

Intensity borrowing in high J levels of the c 3Π–X 1Σ+ (0–0) transition of carbon monoxide

Jacob Baker, Françoise Launay

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 301 KB

english, 2005

29

Direct dynamics studies on the isomerization and H2 elimination reactions of H3PS

Wei Na Wang, Wen Liang Wang, Qiong Luo, Qian Shu Li

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 157 KB

english, 2005

30

Global minima for water clusters (H2O)n, n ⩽ 21, described by a five-site empirical potential

Tim James, David J. Wales, Javier Hernández-Rojas

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 296 KB

english, 2005

31

Isotope effects in the ultrafast photodissociation of acetone 3s Rydberg state excited at 195 nm

Wei-Kan Chen, Jr-Wei Ho, Po-Yuan Cheng

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 184 KB

english, 2005

32

Observation of sub-100 ps conformational changes in photolyzed carbonmonoxy-myoglobin probed by time-resolved circular dichroism

Thibault Dartigalongue, François Hache

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 133 KB

english, 2005

33

From aqueous to organic: A step-by-step strategy for shape evolution of gold nanoparticles

Zhi-Chuan Xu, Cheng-Min Shen, Tian-Zhong Yang, Huai-Ruo Zhang, Hu-Lin Li, Jian-Qi Li, Hong-Jun Gao

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 229 KB

english, 2005

34

Reduced Li diffusion barriers in composite BC3 nanotubes

Jijun Zhao, Bin Wen, Zhen Zhou, Zhongfang Chen, Paul von Ragué Schleyer

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 202 KB

english, 2005

35

Ion kinetic energy distributions and cross sections for the electron impact ionization of ethyl tert-butyl ether

T.M. Di Palma, B. Apicella, M. Armenante, R. Velotta, X. Wang, N. Spinelli

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 255 KB

english, 2005

36

An ab initio study on structures and isomerization of magnesium chlorosilylenoid H2SiClMgCl

Shengyu Feng, Guoqiao Lai, Yufang Zhou, Dacheng Feng

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 154 KB

english, 2005

37

Encapsulation of self-assembled FePt magnetic nanoparticles in PCL nanofibers by coaxial electrospinning

Tao Song, Yanzhong Zhang, Tiejun Zhou, Chwee Teck Lim, Seeram Ramakrishna, Bo Liu

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 253 KB

english, 2005

38

Fragmentation of heme and hemin+ with sequential loss of carboxymethyl groups: A DFT and mass-spectrometry study

O.P. Charkin, N.M. Klimenko, P.T. Nguyen, D.O. Charkin, A.M. Mebel, S.H. Lin, Y.-S. Wang, S.-C. Wei, H.-C. Chang

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 315 KB

english, 2005

39

Erratum to: ‘Combustion synthesis and luminescence properties of nanocrystalline monoclinic SrAl2O4:Eu2+’ [Chem. Phys. Lett. 395 (2004) 285–289]

Zuoling Fu, Shihong Zhou, Yingning Yu, Siyuan Zhang

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 45 KB

english, 2005

40

Editorial Board

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 45 KB

english, 2005

41

Author Index

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 152 KB

english, 2005