Chemical Physics

1

Noise-and delay-induced phase transitions of the dimer–monomer surface reaction model

Chunhua Zeng, Hua Wang

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 369 KB

english, 2012

2

Computational study of the reaction mechanism and kinetics of ethyl acrylate ozonolysis in atmosphere

Yanhui Sun, Haijie Cao, Dandan Han, Jing Li, Maoxia He, Chen Wang

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 775 KB

english, 2012

3

The infrared spectrum of propyne in the range 6200–6700 cm−1

Mattia Villa, Luciano Fusina, Giandomenico Nivellini, Keevin Didriche, Xavier de Ghellinck d’Elseghem Vaernewijck, Michel Herman

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 628 KB

english, 2012

4

Wavelet-based linear-response time-dependent density-functional theory

Bhaarathi Natarajan, Luigi Genovese, Mark E. Casida, Thierry Deutsch, Olga N. Burchak, Christian Philouze, Maxim Y. Balakirev

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 538 KB

english, 2012

5

Reversible switching in self-assembled monolayers of azobenzene thiolates on Au (111) probed by threshold photoemission

Nils Heinemann, Jan Grunau, Till Leißner, Oleksiy Andreyev, Sonja Kuhn, Ulrich Jung, Dordaneh Zargarani, Rainer Herges, Olaf Magnussen, Michael Bauer

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 543 KB

english, 2012

6

Molecular dynamics study of ethanol solvated by water on the Pt (1 1 1) surface

Kholmirzo Kholmurodov, Ermuhammad Dushanov, Kenji Yasuoka, Hagar Khalil, Ahmed Galal, Sameh Ahmed, Nasser Sweilam, Hatem Moharram

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.06 MB

english, 2012

7

First-principles simulation of a photoinduced carbocation formation

J. Friedrichs, D.J. Coughtrie, I. Frank

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 958 KB

english, 2012

8

Polycyclic aromatic hydrocarbons as finite size models of graphene and graphene nanoribbons: Enhanced electron density edge effect

P.C. Mishra, Amarjeet Yadav

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.81 MB

english, 2012

9

Enhancement of current commensurate with mutual noise–noise correlation in a symmetric periodic substrate: The benefits of noise and nonlinearity

Pradipta Ghosh, Sudip Chattopadhyay, Jyotipratim Ray Chaudhuri

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 420 KB

english, 2012

10

Dynamics of CCl bond fission in photodissociation of 2-furoyl chloride at 235 nm

Ankur Saha, Hari P. Upadhyaya, Awadhesh Kumar, Prakash D. Naik, Parma Nand Bajaj

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 578 KB

english, 2012

11

Molecular dynamics simulations and 2D NOESY spectrum study on the different behaviors of glutathione disulfide in different solutions

Rong Zhang, Wei Zeng, Xin Meng, Jingman Huang, Wenjuan Wu

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 921 KB

english, 2012

12

The calculation of zero-field splitting parameters for Fe3+ ions doped in rutile TiO2 crystal by superposition model analysis

Muhammed Acikgoz, Paweł Gnutek, Czesław Rudowicz

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 471 KB

english, 2012

13

On the absence of resonance in the valence band photoemission at L2 resonance edge and the delayed onset of the normal Auger-decay

Masahide Ohno

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 271 KB

english, 2012

14

Probing microcluster formation between PACO and solvents containing oxygen donor sites mediated by the ‘N–H’ Bond

Ramprasad Misra, D.K. Maity, S.P. Bhattacharyya

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 695 KB

english, 2012

15

The structural and electronic properties of monovalent sidewall functionalized double-walled carbon nanotubes

Seifollah Jalili, Maryam Jamali

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1021 KB

english, 2012

16

Amino acids recognition by water-soluble uncharged porphyrin tweezers: Spectroscopic evidences in high optical density solutions

Valentina Villari, Placido Mineo, Emilio Scamporrino, Norberto Micali

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 582 KB

english, 2012

17

Influence of collision energy on cross section and stereodynamical properties for the reaction H + OCl → OH + Cl

Sheng-Wen Zhou, Yun-Hui Wang, Rui-Feng Lu

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 828 KB

english, 2012

18

Proton exchange in acid–base complexes induced by reaction coordinates with heavy atom motions

Saman Alavi, Mahdi Taghikhani

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 613 KB

english, 2012

19

IFC (Editorial Board)

Journal:

Chemical Physics

Year:

2012

Language:

english

File:

PDF, 31 KB

english, 2012

20

Volume 402; Issue none

Noise-and delay-induced phase transitions of the dimer–monomer surface reaction model

Computational study of the reaction mechanism and kinetics of ethyl acrylate ozonolysis in atmosphere

The infrared spectrum of propyne in the range 6200–6700 cm−1

Wavelet-based linear-response time-dependent density-functional theory

Reversible switching in self-assembled monolayers of azobenzene thiolates on Au (111) probed by threshold photoemission

Molecular dynamics study of ethanol solvated by water on the Pt (1 1 1) surface

First-principles simulation of a photoinduced carbocation formation

Polycyclic aromatic hydrocarbons as finite size models of graphene and graphene nanoribbons: Enhanced electron density edge effect

Enhancement of current commensurate with mutual noise–noise correlation in a symmetric periodic substrate: The benefits of noise and nonlinearity

Dynamics of CCl bond fission in photodissociation of 2-furoyl chloride at 235 nm

Molecular dynamics simulations and 2D NOESY spectrum study on the different behaviors of glutathione disulfide in different solutions

The calculation of zero-field splitting parameters for Fe3+ ions doped in rutile TiO2 crystal by superposition model analysis

On the absence of resonance in the valence band photoemission at L2 resonance edge and the delayed onset of the normal Auger-decay

Probing microcluster formation between PACO and solvents containing oxygen donor sites mediated by the ‘N–H’ Bond

The structural and electronic properties of monovalent sidewall functionalized double-walled carbon nanotubes

Amino acids recognition by water-soluble uncharged porphyrin tweezers: Spectroscopic evidences in high optical density solutions

Influence of collision energy on cross section and stereodynamical properties for the reaction H + OCl → OH + Cl

Proton exchange in acid–base complexes induced by reaction coordinates with heavy atom motions

IFC (Editorial Board)

Contents