Chemical Physics

1

The electronic structure of p-xylylene and its reactivity with vinyl molecules

Maciej Bobrowski, Piotr Skurski, Sylwia Freza

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 688 KB

english, 2011

2

Adsorption of selenium atoms at the Si(1 1 1)-7 × 7 surface: A combination of scanning tunnelling microscopy and density functional theory studies

S.Q. Wu, Yinghui Zhou, Qi-Hui Wu, C.I. Pakes, Zi-Zhong Zhu

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 1.48 MB

english, 2011

3

Reversible energy transfer between monomers and fluorescent dimers of rhodamine S in polyvinyl alcohol films

A. Synak, L. Kułak, S. Rangełowa-Jankowska, B. Grobelna, A. Kubicki, P. Bojarski

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 454 KB

english, 2011

4

Two state electron model for geminate recombination of electron–ion pairs in liquid isooctane

L.V. Lukin, B.S. Yakovlev

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 818 KB

english, 2011

5

Third-order nonlinear optical properties of a new type of D–π–D unsymmetrical phenoxazinium chloride with resonance structures

Jian-Feng Ge, Yue-Ting Lu, Qing-Feng Xu, Wu Liu, Na-Jun Li, Ru Sun, Ying-Lin Song, Jian-Mei Lu

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 904 KB

english, 2011

6

Comparison of high-level post-Hartree–Fock and DFT methods on the calculation of interaction-induced electric properties of Kr–He

Demetrios Xenides, Agesilaos Hantzis, George Maroulis

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 885 KB

english, 2011

7

Coherent superposition in the coulomb explosion spectra of

Rui-Feng Lu, Chuan-Yun Xiao, Kai-Ming Deng, Hai-Ping Wu

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 545 KB

english, 2011

8

A theoretical study of the dynamics of the Al + H2O reaction in the gas-phase

Sonia Álvarez-Barcia, Jesús R. Flores

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 411 KB

english, 2011

9

Oxidation mechanisms of dimethyl selenide and selenoxide in the atmosphere initiated by OH radical. A theoretical study

Liming Wang, Aili Tang

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 762 KB

english, 2011

10

Hydration modes of an amphiphilic molecule 2: NMR, FTIR and theoretical study of the interactions in the system water–1,2-dimethoxyethane

Jaroslav Kříž, Jiří Dybal

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.12 MB

english, 2011

11

Theoretical investigations on model ternary polypeptides using genetic algorithm—Some new results

Vinita Arora, A.K. Bakhshi

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 811 KB

english, 2011

12

Subject Index

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 138 KB

english, 2011

13

Effect of regular hydration on gas phase structural stability of [zwitterionic alanine+M+] (M+ = Li+, Na+, K+) complexes: A quantum chemical study

Nidhi Vyas, Animesh K. Ojha

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 742 KB

english, 2011

14

Erratum to “The electronic excited states of ethylene with large-amplitude deformations: A dynamical symmetry group investigation” [Chemical Physics 377 (2010) 30–45]

B. Lasorne, Michael A. Robb, Hans-Dieter Meyer, F. Gatti

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 130 KB

english, 2011

15

Identification of two quanta simultaneous vibrational transitions in the dimer water trapped in inert matrices

B. Tremblay, Y. Bouteiller, J.P. Perchard

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 291 KB

english, 2011

16

Dimerization constant of SF6 and CF4 in cryosolutions

A.N. Dobrotvorskaia, D.N. Shchepkin, P.K. Sergeev, W.A. Herrebout, B.J. van der Veken

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 960 KB

english, 2011

17

Vertical excitation energies of ClOOCl, ClClO2 and ClOClO, and photodissociation of ClOOCl. Multireference configuration interaction studies

Friedrich Grein

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 370 KB

english, 2011

18

Infrared matrix-isolation spectroscopy of trifluoroacetic acid hydrates

Fumiyuki Ito

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 743 KB

english, 2011

19

A new fluorescent probe with stimulated emission and multiphoton absorption properties

S. Akbar Ali, P.B. Bisht, A. Senthilmurugan, I.S. Aidhen

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 855 KB

english, 2011

20

Two-photon photoemission from ex-situ prepared butanethiol SAMs on Au (111)

N. Heinemann, T. Leissner, J. Grunau, T. Rohwer, O. Andreyev, M. Bauer

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 386 KB

english, 2011

21

Potential energy studies on silane dimers

Riina Mahlanen, Tapani A. Pakkanen

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 527 KB

english, 2011

22

Dissociation of CO2 molecules in microwave plasma

Alenka Vesel, Miran Mozetic, Aleksander Drenik, Marianne Balat-Pichelin

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 543 KB

english, 2011

23

IFC (Editorial Board)

Journal:

Chemical Physics

Year:

2011

Language:

english

File:

PDF, 35 KB

english, 2011

24

Volume 382; Issue 1-3

The electronic structure of p-xylylene and its reactivity with vinyl molecules

Adsorption of selenium atoms at the Si(1 1 1)-7 × 7 surface: A combination of scanning tunnelling microscopy and density functional theory studies

Reversible energy transfer between monomers and fluorescent dimers of rhodamine S in polyvinyl alcohol films

Two state electron model for geminate recombination of electron–ion pairs in liquid isooctane

Third-order nonlinear optical properties of a new type of D–π–D unsymmetrical phenoxazinium chloride with resonance structures

Comparison of high-level post-Hartree–Fock and DFT methods on the calculation of interaction-induced electric properties of Kr–He

Coherent superposition in the coulomb explosion spectra of

A theoretical study of the dynamics of the Al + H2O reaction in the gas-phase

Oxidation mechanisms of dimethyl selenide and selenoxide in the atmosphere initiated by OH radical. A theoretical study

Hydration modes of an amphiphilic molecule 2: NMR, FTIR and theoretical study of the interactions in the system water–1,2-dimethoxyethane

Theoretical investigations on model ternary polypeptides using genetic algorithm—Some new results

Subject Index

Effect of regular hydration on gas phase structural stability of [zwitterionic alanine+M+] (M+ = Li+, Na+, K+) complexes: A quantum chemical study

Erratum to “The electronic excited states of ethylene with large-amplitude deformations: A dynamical symmetry group investigation” [Chemical Physics 377 (2010) 30–45]

Identification of two quanta simultaneous vibrational transitions in the dimer water trapped in inert matrices

Dimerization constant of SF6 and CF4 in cryosolutions

Vertical excitation energies of ClOOCl, ClClO2 and ClOClO, and photodissociation of ClOOCl. Multireference configuration interaction studies

Infrared matrix-isolation spectroscopy of trifluoroacetic acid hydrates

A new fluorescent probe with stimulated emission and multiphoton absorption properties

Two-photon photoemission from ex-situ prepared butanethiol SAMs on Au (111)

Potential energy studies on silane dimers

Dissociation of CO2 molecules in microwave plasma

IFC (Editorial Board)

Contents