Volume 331; Issue 2-3

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Chemical Physics
Volume 331; Issue 2-3

Chemical Physics

Volume 331; Issue 2-3

1

Hydration energies of C60 and C70 fullerenes – A novel Monte Carlo simulation study

A. Muthukrishnan, M.V. Sangaranarayanan

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 499 KB

english, 2007

2

Reactions of neutral interstellar species

S. Ekern, L. Gomez, J. Szczepanski, M. Vala

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 381 KB

english, 2007

3

Photophysical properties of 1-acetoxy-8-hydroxy-1,4,4a,9a-tetrahydroanthraquinone: Evidence for excited state proton transfer reaction

Rupashree Balia Singh, Subrata Mahanta, Nikhil Guchhait

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 508 KB

english, 2007

4

NEMD simulation for obstructed methane flow in mica pore

Bo-Zhi Gong, Bing-Jian Zhang, Xing Qin, Hui Zhang

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1014 KB

english, 2007

5

Half- and full-integer power law for distance fluctuations: Langevin dynamics in one- and two-dimensional systems

Wei-Chen Chen, Jau Tang

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 440 KB

english, 2007

6

Electroabsorption in triphenylamine-based hole-transporting materials for organic light-emitting diodes

Waldemar Stampor, Wojciech Mróz

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 306 KB

english, 2007

7

Interaction of photoactive catechol with TiO2 anatase (1 0 1) surface: A periodic density functional theory study

Ying Xu, Wen-Kai Chen, Shu-Hong Liu, Mei-Juan Cao, Jun-Qian Li

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 450 KB

english, 2007

8

Local and non-local correlation in liquids and liquid mixtures

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 165 KB

english, 2007

9

The resonance levels of the Yukawa potential

Mirosław Bylicki, Artur Stachów, Jacek Karwowski, Prasanta K. Mukherjee

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 443 KB

english, 2007

10

H–N2 inelastic collision dynamics on new potential energy surface

T. Stoecklin, A. Voronin

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 465 KB

english, 2007

11

Charge transfer from 2-aminopurine radical cation and radical anion to nucleobases: A pulse radiolysis study

P. Manoj, H. Mohan, J.P. Mittal, V.M. Manoj, C.T. Aravindakumar

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 209 KB

english, 2007

12

Photophysical processes in electronic states of zinc tetraphenyl porphyrin accessed on one- and two-photon excitation in the soret region

Adam Lukaszewicz, Jerzy Karolczak, Dorota Kowalska, Andrzej Maciejewski, Marcin Ziolek, Ronald P. Steer

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 422 KB

english, 2007

13

The deprotonation energies of BH5 and AlH5: Comparisons to GaH5

Lucas D. Speakman, Justin M. Turney, Henry F. Schaefer III

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 299 KB

english, 2007

14

All-optical poling properties of new nonlinear fluorene derivatives

Aleksandra Apostoluk, Jean-Michel Nunzi, Igor F. Perepichka, Zorislav V. Stepanenko, Igor M. Serebryakov

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 313 KB

english, 2007

15

Density dependence of optical Kerr lens signals in neat N2O and CO2

Reinhard Bürsing, Thomas Lenzer, Kawon Oum

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 584 KB

english, 2007

16

Rate coefficients for resonant vibrational excitation of N2

M. Ristić, G.B. Poparić, D.S. Belić

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 568 KB

english, 2007

17

A critical analysis of the performance of conventional ab initio and DFT methods in the computation of Si6 ground state

Panaghiotis Karamanis, Daisy Zhang-Negrerie, Claude Pouchan

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 293 KB

english, 2007

18

Absorption and emission spectroscopic characterisation of a pyrene-flavin dyad

J. Shirdel, A. Penzkofer, R. Procházka, Z. Shen, J. Strauss, J. Daub

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 492 KB

english, 2007

19

Infrared spectroscopy of ClONO2 and BrONO2 investigated by means of anharmonic force fields

Milena Petković

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 351 KB

english, 2007

20

IFC

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 73 KB

english, 2007

21

Subject Index

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 131 KB

english, 2007

22

Quantum transport through organic molecules

Santanu K. Maiti

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 824 KB

english, 2007

23

Study of mesoporous silica films by positron annihilation based on a slow positron beam: Effects of preparation conditions on pore size and open porosity

Chunqing He, Ryoichi Suzuki, Toshiyuki Ohdaira, Nagayasu Oshima, Atsushi Kinomura, Makoto Muramatsu, Yoshinori Kobayashi

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 261 KB

english, 2007

24

Inner-shell excitation of gas phase carbonates and α,γ-dicarbonyl compounds

Robert Lessard, Jérôme Cuny, Glyn Cooper, Adam P. Hitchcock

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 500 KB

english, 2007

25

VUV spectroscopy of CH3Cl and CH3I

S. Eden, P. Limão-Vieira, S.V. Hoffmann, N.J. Mason

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 367 KB

english, 2007

26

Obtaining Simons–Parr–Finlan coefficients using Murrell–Sorbie parameters

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 234 KB

english, 2007

27

A molecular dynamics study on the role of attractive and repulsive forces in internal energy, internal pressure and structure of dense fluids

Elaheh K. Goharshadi, Ali Morsali, G. Ali Mansoori

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 371 KB

english, 2007

28

Statistical tools for the detection of memory and conformational motions in single-enzyme kinetics

Hans-Philipp Lerch, Alexander S. Mikhailov, Rudolf Rigler

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 554 KB

english, 2007

29

Properties of He@C60 studied via structure distortions

Zhiyin Wang, Daijun Liu, Kehe Su, Huiqing Fan, Yulong Li, Zhenyi Wen

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 913 KB

english, 2007

30

Assessment of density-functional models for organic molecular semiconductors: The role of Hartree–Fock exchange in charge-transfer processes

J.C. Sancho-García

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 286 KB

english, 2007

31

Photo-physical properties of 1-hydroxy-2-naphthaldehyde: A combined fluorescence spectroscopy and quantum chemical calculations

Rupashree Balia Singh, Subrata Mahanta, Samiran Kar, Nikhil Guchhait

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 517 KB

english, 2007

32

High resolution VUV photoabsorption cross section of dimethyl sulphoxide (CH3)2SO

E.A. Drage, P. Cahillane, S.V. Hoffmann, N.J. Mason, P. Limão-Vieira

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 254 KB

english, 2007