Chemical Physics Letters

1

Polarization and wavelength dependent nonlinear optical properties of a photo-switchable organic crystal

Michel Sliwa, Keitaro Nakatani, Tsuyoshi Asahi, Pascal G. Lacroix, Robert B. Pansu, Hiroshi Masuhara

Journal:

Année:

2007

Langue:

english

Fichier:

PDF, 653 KB

english, 2007

2

Spectroscopic properties of Zn2, ZnHe, ZnNe and ZnAr van der Waals molecules: A CCSD(T) study

N.C. Bera, A.K. Das

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 214 KB

english, 2007

3

A molecular dynamics study of the effect of a substrate on catalytic metal clusters in nucleation process of single-walled carbon nanotubes

Yasushi Shibuta, Shigeo Maruyama

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 1.25 MB

english, 2007

4

C–D Modes as structural reporters via dual-frequency 2DIR spectroscopy

Sri Ram G. Naraharisetty, Dmitry V. Kurochkin, Igor V. Rubtsov

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 701 KB

english, 2007

5

Calculation of the cross section of epithermal neutron scattering from water by a time-dependent wavepacket approach

Seiichi Tanabe, Kunihito Hoki, Hirohiko Kono, Yuichi Fujimura

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 258 KB

english, 2007

6

DFT calculation of vibrational frequency of hydrogen atoms on Pt electrodes: Analysis of the electric field dependence of the Pt–H stretching frequency

Mutsumi Tomonari, Osamu Sugino

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 277 KB

english, 2007

7

Quantum scattering calculation for Br + H2 reaction on a new ab initio potential energy surface

Wei-Long Quan, Qing Song, Bi-Yu Tang

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 564 KB

english, 2007

8

First-principles study of a single Ti atom adsorbed on silicon carbide nanotubes and the corresponding adsorption of hydrogen molecules to the Ti atom

Tiezhu Meng, Chong-Yu Wang, Shan-Ying Wang

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 425 KB

english, 2007

9

Bent core molecules and the biaxial nematic phase: A transverse dipole widens the optimal angle

Martin A. Bates

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 192 KB

english, 2007

10

Interaction between Pt nanoparticles and carbon nanotubes – An X-ray absorption near edge structures (XANES) study

Jigang Zhou, Xingtai Zhou, Xuhui Sun, Ruying Li, Michael Murphy, Zhifeng Ding, Xueliang Sun, Tsun-Kong Sham

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 435 KB

english, 2007

11

Xenon adsorption on defected single-walled carbon nanotubes

S. Jalili, A. Vaez

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 613 KB

english, 2007

12

The collisional alignment of acetylene molecules in supersonic seeded expansions probed by infrared absorption and molecular beam scattering

F. Pirani, D. Cappelletti, M. Bartolomei, V. Aquilanti, G. Demarchi, P. Tosi, M. Scotoni

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 219 KB

english, 2007

13

Distributed decay kinetics of charge separated state in solid film

Heli Lehtivuori, Alexander Efimov, Helge Lemmetyinen, Nikolai V. Tkachenko

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 198 KB

english, 2007

14

On the role of the II(1/2g) state in spontaneous dissociation of krypton and xenon dimer ions

J. Fedor, O. Echt, K. Głuch, S. Matt-Leubner, P. Scheier, T.D. Märk

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 475 KB

english, 2007

15

The chiroptical properties of chiral substituted poly[3-((3S)-3,7-dimethyloctyl)thiophene] as a function of film thickness

Girish Lakhwani, Guy Koeckelberghs, S.C.J. Meskers, R.A.J. Janssen

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 263 KB

english, 2007

16

Picosecond laser photolysis study of cycloreversion reaction of a diarylethene derivative in polycrystals: Multiphoton-gated reaction

Yukihide Ishibashi, Kensuke Tani, Hiroshi Miyasaka, Seiya Kobatake, Masahiro Irie

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 813 KB

english, 2007

17

Ab initio based building block model of amide I vibrations in peptides

Roman D. Gorbunov, Gerhard Stock

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 420 KB

english, 2007

18

On the T-shaped structures of the benzene dimer

Robert A. DiStasio Jr., Gert von Helden, Ryan P. Steele, Martin Head-Gordon

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 258 KB

english, 2007

19

Dynamical polaron theory of the hydrated electron

V.D. Lakhno

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 164 KB

english, 2007

20

Al concentration dependence of electrical and photoluminescent properties of co-doped ZnO films

F. Zhuge, L.P. Zhu, Z.Z. Ye, J.G. Lu, H.P. He, B.H. Zhao

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 183 KB

english, 2007

21

Effect of cell–cell communication on the kinetics of proliferation and differentiation of stem cells

Vladimir P. Zhdanov

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 202 KB

english, 2007

22

Using singular value decomposition for a compact presentation and improved interpretation of the CIS wave functions

I. Mayer

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 191 KB

english, 2007

23

Reactions of H atoms produced by electron irradiation of benzene in solid xenon: IR spectrum of cylohexadienyl radical and possible involvement of HXeC6H5

Vladimir I. Feldman, Fedor F. Sukhov, Elizaveta A. Logacheva, Aleksei Yu. Orlov, Irina V. Tyulpina, Daniil A. Tyurin

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 219 KB

english, 2007

24

Spatial localization, correlation, and statistical dependence of electrons in atomic domains: The and states of H2

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

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 178 KB

english, 2007

25

Transition state determination of enzyme reaction on free energy surface: Application to chorismate mutase

Masahiro Higashi, Shigehiko Hayashi, Shigeki Kato

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 635 KB

english, 2007

26

Investigation into luminescent dynamics in solid-state cathodoluminescence structure

Ting Zhang, Zheng Xu, Ran Liu, Suling Zhao, Yongsheng Wang, Xurong Xu

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 188 KB

english, 2007

27

Editorial Board

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 47 KB

english, 2007

28

Author Index

Journal:

Chemical Physics Letters

Année:

2007

Langue:

english

Fichier:

PDF, 88 KB

english, 2007

Volume 437; Issue 4-6

Polarization and wavelength dependent nonlinear optical properties of a photo-switchable organic crystal

Spectroscopic properties of Zn2, ZnHe, ZnNe and ZnAr van der Waals molecules: A CCSD(T) study

A molecular dynamics study of the effect of a substrate on catalytic metal clusters in nucleation process of single-walled carbon nanotubes

C–D Modes as structural reporters via dual-frequency 2DIR spectroscopy

Calculation of the cross section of epithermal neutron scattering from water by a time-dependent wavepacket approach

DFT calculation of vibrational frequency of hydrogen atoms on Pt electrodes: Analysis of the electric field dependence of the Pt–H stretching frequency

Quantum scattering calculation for Br + H2 reaction on a new ab initio potential energy surface

First-principles study of a single Ti atom adsorbed on silicon carbide nanotubes and the corresponding adsorption of hydrogen molecules to the Ti atom

Bent core molecules and the biaxial nematic phase: A transverse dipole widens the optimal angle

Interaction between Pt nanoparticles and carbon nanotubes – An X-ray absorption near edge structures (XANES) study

Xenon adsorption on defected single-walled carbon nanotubes

The collisional alignment of acetylene molecules in supersonic seeded expansions probed by infrared absorption and molecular beam scattering

Distributed decay kinetics of charge separated state in solid film

On the role of the II(1/2g) state in spontaneous dissociation of krypton and xenon dimer ions

The chiroptical properties of chiral substituted poly[3-((3S)-3,7-dimethyloctyl)thiophene] as a function of film thickness

Picosecond laser photolysis study of cycloreversion reaction of a diarylethene derivative in polycrystals: Multiphoton-gated reaction

Ab initio based building block model of amide I vibrations in peptides

On the T-shaped structures of the benzene dimer

Dynamical polaron theory of the hydrated electron

Al concentration dependence of electrical and photoluminescent properties of co-doped ZnO films

Effect of cell–cell communication on the kinetics of proliferation and differentiation of stem cells

Using singular value decomposition for a compact presentation and improved interpretation of the CIS wave functions

Reactions of H atoms produced by electron irradiation of benzene in solid xenon: IR spectrum of cylohexadienyl radical and possible involvement of HXeC6H5

Spatial localization, correlation, and statistical dependence of electrons in atomic domains: The and states of H2

Transition state determination of enzyme reaction on free energy surface: Application to chorismate mutase

Investigation into luminescent dynamics in solid-state cathodoluminescence structure

Editorial Board

Contents

Author Index