Volume 426; Issue 1-3

Main
Chemical Physics Letters
Volume 426; Issue 1-3

Chemical Physics Letters

Volume 426; Issue 1-3

1

Non-equilibrium dynamics and structure of interfacial ice

Oliviero Andreussi, Davide Donadio, Michele Parrinello, Ahmed H. Zewail

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 1000 KB

english, 2006

2

Theoretical study on the ionic dissociation of halosulfonic acids in small water clusters

Shujin Li, Fu-Ming Tao, Renao Gu

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 291 KB

english, 2006

3

Effect of laser field ellipticity on the rovibrational excitations of a diatomic molecule

V. Prasad, K. Yamashita

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 181 KB

english, 2006

4

trans–cis Isomerism and acylimine formation in DsRed chromophore models: Intrinsic rotation barriers

Seth Olsen, Sean C. Smith

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 223 KB

english, 2006

5

Long-range periodic structure induced by coupling of the solvation effect and concentration fluctuation in water and 3-methylpyridine with salts

K. Sadakane, H. Seto, M. Nagao

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 161 KB

english, 2006

6

A molecular dynamics study of surface structure of spherical SDS micelles

Noriyuki Yoshii, Susumu Okazaki

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 198 KB

english, 2006

7

Local and non-local force analysis for Wigner function barrier scattering

Brad A. Rowland, Robert E. Wyatt

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 455 KB

english, 2006

8

Modification of ground and excited states of 3-phenylureidoquinoline by encapsulation in surfactant assemblies

Debashis Panda, Anindya Datta

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 345 KB

english, 2006

9

Comment on ‘Modelling complexes of H2 molecules in fullerenes’ by H. Dodziuk [Chem. Phys. Lett. 410 (2005) 39]

Lemi Turker, Sakir Erkoc

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 75 KB

english, 2006

10

Reply to the ‘Comment on ‘Modelling complexes of H2 molecules in fullerenes’ by H. Dodziuk [Chem. Phys. Lett. 410 (2005) 39]’ by L. Turker and S. Erkoc

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 64 KB

english, 2006

11

Upconversion rate in Nd-doped Ta2O5 waveguides and influence on the cw laser performance

F. Lahoz, M.A. Hassan

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 299 KB

english, 2006

12

A temperature accelerated method for sampling free energy and determining reaction pathways in rare events simulations

Luca Maragliano, Eric Vanden-Eijnden

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 228 KB

english, 2006

13

EPR zero-field splitting parameters and structural distortion study of Mn2+-doped (CH3)4NCdCl3 crystal in high-temperature phases

Dong Die, Xiao-Yu Kuang, Jian-Jun Guo, Hui Wang, Kang-Wei Zhou

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 118 KB

english, 2006

14

Formation mechanism, structural characterization, optical properties and photocatalytic activity of hierarchically arranged sisal-like ZnO architectures

Fen Xu, Gao-Hui Du, Matej Halasa, Bao-Lian Su

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 461 KB

english, 2006

15

Degradation mechanism of benzene by NO3 radicals in the atmosphere: A DFT study

Xiaohui Qu, Qingzhu Zhang, Wenxing Wang

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 132 KB

english, 2006

16

Optical properties of novel Er-containing co-polymers with emission at 1530 nm

R. Pizzoferrato, T. Ziller, R. Paolesse, F. Mandoj, A. Micozzi, A. Ricci, C. Lo Sterzo

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 126 KB

english, 2006

17

Comment on: Revisiting the variational nature of the quantum theory of atoms in molecules

Richard F.W. Bader

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 102 KB

english, 2006

18

Reply to comments of Bader on the simplified variational derivation for quantum atoms in molecules

A. Martín Pendás, M.A. Blanco, E. Francisco

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 90 KB

english, 2006

19

Stereoelectronic interactions and their effects on conformational preference for 1,3-dithiane-1-oxide and 1,4-dithiane-1-oxide. A theoretical and experimental study

Gisele F. Gauze, Rodolfo Tormena, Ernani A. Basso, Cláudio F. Tormena

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 907 KB

english, 2006

20

First coupling between a LINAC and FT-IR spectroscopy: The aqueous ferrocyanide system

S. Le Caër, G. Vigneron, J.P. Renault, S. Pommeret

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 368 KB

english, 2006

21

Comment on: ‘Failure of time-dependent density functional methods for excitations in spatially separated systems’ by Wolfgang Hieringer and Andreas Görling

Andreas Dreuw, Martin Head-Gordon

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 85 KB

english, 2006

22

Reply to Comment on ‘Failure of time-dependent density functional methods for excitations in spatially separated systems’ by Andreas Dreuw and Martin Head-Gordon

Wolfgang Hieringer, Andreas Görling

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 71 KB

english, 2006

23

Chemical bonding and electronic structure of 4d-metal monocarbides

Jinping Wang, Xiaobo Sun, Zhijian Wu

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 163 KB

english, 2006

24

Hyper-Rayleigh scattering and continuum generation of salt induced aggregates of Silver nanoparticles: The effect of cation size (Li+, Na+ and K+)

K. Das, A. Uppal, P.K. Gupta

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 194 KB

english, 2006

25

Theoretical study on reaction of [(Ind∗)Rh(CO)2Me]BF4 with nbd

Siwei Bi, Bin Wang, Yi Zhao, Zhenwei Zhang, Shufen Zhu

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 282 KB

english, 2006

26

Coexistence of metastable nitric acid dihydrates: A molecular level contribution to understanding the formation of polar stratospheric clouds crystals

Anas Al Natsheh, Alexey B. Nadykto, Kurt V. Mikkelsen, Fangqun Yu, Juhani Ruuskanen

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 189 KB

english, 2006

27

Theoretical study of F−–(H2)n and Cl−–(H2)n (n = 1–8) anion complexes

Bálint Nyulasi, Attila Kovács

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 751 KB

english, 2006

28

Blackbody-radiation-induced photodetachment of dipole-bound anions

V.E. Chernov, A.V. Danilyan, A.V. Dolgikh, F.B. Dunning, B.A. Zon

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 130 KB

english, 2006

29

Time-resolved ESR study on a long-lived radical-ion pair formed in the photoinduced electron-transfer reaction of xanthone and N,N-diethylaniline in 2-propanol

Asako Ishigaki, Hisao Murai

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 251 KB

english, 2006

30

Selective adsorption of first-row atoms on BN nanotubes

Jia Li, Gang Zhou, Haitao Liu, Wenhui Duan

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 361 KB

english, 2006

31

Dideuterium as solute in nematic liquid crystals

Leon C. ter Beek, E. Elliott Burnell

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 115 KB

english, 2006

32

Analytical gradient of restricted second-order Møller–Plesset correlation energy with the resolution of the identity approximation, applied to the TCNE dimer anion complex

Young Min Rhee, Robert A. DiStasio Jr., Rohini C. Lochan, Martin Head-Gordon

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 200 KB

english, 2006

33

Lattice vibration spectra and thermal properties of SrWO4 single crystal

Z.C. Ling, H.R. Xia, D.G. Ran, F.Q. Liu, S.Q. Sun, J.D. Fan, H.J. Zhang, J.Y. Wang, L.L. Yu

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 173 KB

english, 2006

34

Linestrength of oxygen’s atmospheric transitions from absorption data. I. The A, B, and γ bands

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 207 KB

english, 2006

35

Collision-energy-resolved angular distribution of Penning electrons for N2–He∗(23S)

Yoshinori Hanzawa, Naoki Kishimoto, Masakazu Yamazaki, Koichi Ohno

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 370 KB

english, 2006

36

Multiple-quantum 13C solid-state NMR spectroscopy under moderate magic-angle spinning

Sungsool Wi, Son-Jong Hwang

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 284 KB

english, 2006

37

A density functional theory study of Ti-doped NaAlH4 clusters

Ali Marashdeh, Roar A. Olsen, Ole Martin Løvvik, Geert-Jan Kroes

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 1.37 MB

english, 2006

38

Low-temperature fabrication of MnFe2O4 octahedrons: Magnetic and electrochemical properties

Dongen Zhang, Xiaojun Zhang, Xiaomin Ni, JiMei Song, Huagui Zheng

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 192 KB

english, 2006

39

Strong dependence of 10Dq on the metal–ligand distance: Key role played by the s–p hybridization on ligands

P. García-Fernández, J.M. García-Lastra, J.A. Aramburu, M.T. Barriuso, M. Moreno

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 156 KB

english, 2006

40

Sub-5-fs spectroscopy of a thiophene derivative with a quinoid structure

Takayoshi Kobayashi, Haibo Wang, Zhuan Wang, Tetsuo Otsubo

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 647 KB

english, 2006

41

How O2 is activated on all-metal aromatic complex (Al4Ca) surface

Xingbang Hu, Haoran Li, Congmin Wang, Shijun Han

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 201 KB

english, 2006

42

Linestrength of oxygen’s atmospheric transitions from absorption data. II. The 1.27-μm transition

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 177 KB

english, 2006

43

pH Dependent binding of chlorin-p6 with phosphatidyl choline liposomes: Comparison between one and two-photon excited fluorescence

B. Jain, A. Dube, K. Das, P.K. Gupta

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 145 KB

english, 2006

44

Simulation of resonant X-ray emission spectra of ethylene and benzene molecules

Tomonori Ida, Nobuhiko Kato, Daisuke Matsumoto, Motohiro Mizuno, Kazunaka Endo

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 174 KB

english, 2006

45

Photoacoustic spectroscopic analysis of photoinduced change in absorption of titanium(IV) oxide photocatalyst powders: A novel feasible technique for measurement of defect density

Naoya Murakami, Orlando Omar Prieto Mahaney, Tsukasa Torimoto, Bunsho Ohtani

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 225 KB

english, 2006

46

Enhanced stability of organic light-emitting devices fabricated under ultra-high vacuum condition

Takeshi Ikeda, Hideyuki Murata, Yoshiki Kinoshita, Junichi Shike, Yoshikazu Ikeda, Masahiro Kitano

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 130 KB

english, 2006

47

Interaction of a supersonic NO beam with a static and a resonant RF field: Measurement of rotationally resolved dipole moments

J.O. Caceres, C. Montero, M. Morato, A. González Ureña

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 355 KB

english, 2006

48

Photodissociation dynamics of the S2 state of CH3ONO: LIF observation of nascent OH State distributions

Xian-fang Yue, Ju-long Sun, Zhen-feng Liu, Qiang Wei, Ke-li Han

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 241 KB

english, 2006

49

Substituent effects on the stability of para substituted benzyl radicals

Nakul K. Singh, Paul L.A. Popelier, Patrick J. O’Malley

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 125 KB

english, 2006

50

Editorial Board

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 48 KB

english, 2006

51

Contents

Journal:

Chemical Physics Letters

Année:

2006

Langue:

english

Fichier:

PDF, 926 KB

english, 2006