Volume 310; Issue 1-3

Main
Chemical Physics
Volume 310; Issue 1-3

Chemical Physics

Volume 310; Issue 1-3

1

An accurate expression for radial distribution function of the Lennard-Jones fluid

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

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 147 KB

english, 2005

2

Structural features responsible for GFPuv and S147P-GFP’s improved fluorescence

Nana Yaa Baffour-Awuah, Flavia Fedeles, Marc Zimmer

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 415 KB

english, 2005

3

Cluster-assistant generation of multiply charged atomic ions in nanosecond laser ionization of seeded methyl iodide beam

Xiaolin Luo, Dongmei Niu, Xianglei Kong, Lihua Wen, Feng Liang, Kemei Pei, Bin Wang, Haiyang Li

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 445 KB

english, 2005

4

Theoretical study of hyperfine coupling constants of uracil, cytosine and their halogenated derivatives in triplet state

Xin-Juan Hou, Minh Tho Nguyen

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 336 KB

english, 2005

5

Modeling of decoherence and dissipation in nonadiabatic photoreactions by an effective-scaling nonsecular Redfield algorithm

Birgit Balzer, Gerhard Stock

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 376 KB

english, 2005

6

Phenylacetylene adsorption on Rh(1 0 0): a photoemission and photoabsorption investigation

G. Iucci, V. Carravetta, G. Paolucci, A. Goldoni, M.V. Russo, G. Polzonetti

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 471 KB

english, 2005

7

Analysis of the interactions between human serum albumin/amphiphilic penicillin in different aqueous media: an isothermal titration calorimetry and dynamic light scattering study

Silvia Barbosa, Pablo Taboada, Victor Mosquera

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 333 KB

english, 2005

8

Ab initio and experimental study of the K-shell spectra of 2,5-dihydrofuran

D. Duflot, J.-P. Flament, A. Giuliani, J. Heinesch, M.-J. Hubin-Franskin

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 451 KB

english, 2005

9

Blue-shifted hydrogen-bonded complexes. II. CH3F⋯(HF)1 ⩽ n ⩽ 3 and CH2F2⋯(HF)1 ⩽ n ⩽ 3

Alfred Karpfen, Eugene S. Kryachko

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 450 KB

english, 2005

10

Computer simulation of Cl− hydration in anion–water clusters

Sergey V. Shevkunov, Sergey I. Lukyanov, Jean-Marc Leyssale, Claude Millot

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 516 KB

english, 2005

11

Quantum efficiency of 1S0 and 3P0,1 levels of Pr3+ doped YF3

Stefan Kück, Irena Sokólska, Markus Henke, Eugen Osiac

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 477 KB

english, 2005

12

Vibrational spectra of methyllithium and its aggregates: a new interpretation from ab initio anharmonic calculations

Neil Gohaud, Didier Begue, Claude Pouchan

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 421 KB

english, 2005

13

Analysis to obtain precise density fluctuation of supercritical fluids by small-angle X-ray scattering

Asako Ayusawa Arai, Takeshi Morita, Keiko Nishikawa

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 487 KB

english, 2005

14

Further investigation about Lagrangian theorem-based density functional approximation: test by non-uniform polymer melt

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 345 KB

english, 2005

15

Theoretical electronic structure including spin–orbit effects of the alkali dimer cation

A. Jraij, A.R. Allouche, M. Korek, M. Aubert-Frécon

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 372 KB

english, 2005

16

On temperature- and space-dimension dependent matter agglomerations in a mature growing stage

A. Gadomski, J.M. Rubí, J. Łuczka, M. Ausloos

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 366 KB

english, 2005

17

Observation and rovibrational analysis of the ν2 band of HCN–H35Cl

R. Wugt Larsen, F. Hegelund, B. Nelander

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 279 KB

english, 2005

18

Infrared study of 1-octanol liquid structure

Marco Paolantoni, Paola Sassi, Assunta Morresi, Rosario Sergio Cataliotti

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 493 KB

english, 2005

19

Femtosecond photoelectron spectroscopy of trans-stilbene above the reaction barrier

C. Dietl, E. Papastathopoulos, P. Niklaus, R. Improta, F. Santoro, G. Gerber

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 443 KB

english, 2005

20

Computational study of calix[4]arene derivatives and complexation with Zn2+

A. Suwattanamala, A.L. Magalhães, J.A.N.F. Gomes

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 701 KB

english, 2005

21

Dehydration energies of alkaline earth metal halides – a novel simulation methodology

V. Sudha, S. Harinipriya, M.V. Sangaranarayanan

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 338 KB

english, 2005

22

Quantum chemical and conventional TST calculations of rate constants for the OH + alkane reaction

Graciela Bravo-Pérez, J. Raúl Alvarez-Idaboy, Annia Galano Jiménez, Armando Cruz-Torres

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 418 KB

english, 2005

23

Modeling of biliverdin reduction process: regio-specificity and H-bonding

Mansour Zahedi, Mina Ghiasi, Nasser Safari

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 762 KB

english, 2005

24

Effect of molecular weight and its distribution on the spinodal for polydisperse polymer solutions

Xiyan Du, Zhaoyan Sun, Lijia An

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 333 KB

english, 2005

25

NIR surface enhanced Raman spectroscopy and bands assignment by DFT calculations of non-natural β-amino acids

T. Iliescu, D. Maniu, V. Chis, F.D. Irimie, Cs. Paizs, M. Tosa

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 440 KB

english, 2005

26

Ab initio investigation of the magnetic states of Ca2MnO4 and Ca2MnO3.5

S.F. Matar, M.A. Subramanian, R. Weihrich

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 428 KB

english, 2005

27

Microscopic modelling of the reduction of a Zn(II) aqua-complex on metal electrodes

Renat R. Nazmutdinov, Wolfgang Schmickler, Alexander M. Kuznetsov

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 539 KB

english, 2005

28

Corrigendum to “Depolarisation of the spatial alignment of the rotational angular momentum vector by hyperfine interaction” [Chem. Phys. 301 (2004) 189]

M. Rutkowski, H. Zacharias

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 104 KB

english, 2005

29

Computational studies on the thermal decomposition and isomerization of CHBr2O radical

Evangelos Drougas, Agnie M. Kosmas

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 393 KB

english, 2005

30

Spectroscopic properties of K5Li2UF10

M. Karbowiak, Z. Gajek, J. Drożdżyński

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 388 KB

english, 2005

31

Weinhold length in an isentropic ideal and quasi-ideal gas

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 273 KB

english, 2005

32

Symmetry distortion of extended 1-D π-electron systems

N. Tyutyulkov, N. Drebov, F. Dietz

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 138 KB

english, 2005

33

Magnetic properties of d1–d1–d2 MV trimers with partial electron delocalization in the generalized vibronic model

Haiquan Hu, Xiaohua Yang, Zhida Chen

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 561 KB

english, 2005

34

Rare gas–iodine complexes in the ion-pair states

M.E. Akopyan, I.Yu. Novikova, S.A. Poretsky, A.M. Pravilov

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 254 KB

english, 2005

35

Computational study of glycine–(water)3 complex by density functional method

Ajay Chaudhari, Shyi-Long Lee

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 344 KB

english, 2005

36

A theoretical study of the excited electronic states of the SiCN system

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 179 KB

english, 2005

37

A compact formulation for multi-component transport coefficients in gas mixtures

A. Ern, A.S. Dickinson, V. Vesovic

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 337 KB

english, 2005

38

Subject index

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 166 KB

english, 2005

39

Editorial board

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 70 KB

english, 2005

40

Author index

Journal:

Chemical Physics

Year:

2005

Language:

english

File:

PDF, 135 KB

english, 2005