Volume 5; Issue 4

Physical Chemistry Chemical Physics

Volume 5; Issue 4

1

Ion transport in polymer electrolytes containing nanoparticulate TiO2: The influence of polymer morphology

Adebahr, J., Best, A. S., Byrne, N., Jacobsson, P., MacFarlane, D. R., Forsyth, M.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 133 KB

english, 2003

2

Molecular dynamics simulations for the complexation of Ln3+ and UO22+ ions with tridentate ligand diglycolamide (DGA)Electronic supplementary information (ESI) available: Figures S1–S5Eu3+–O distances and interaction energy between Eu3+ and TMDGA as a function of time in different media.See http://www.rsc.org/suppdata/cp/b2/b205127n/

Hirata, Masaru, Guilbaud, Philippe, Dobler, Marc, Tachimori, Shoichi

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 484 KB

english, 2003

3

Novel statistical lattice model for the supported nanoparticle. Features of the reaction performance influenced by the dynamically changed shape and surface morphology of the supported active particle

Kovalyov, Evgenii V., Resnyanskii, Evgenii D., Elokhin, Vladimir I., Bal'zhinimaev, Bair S., Myshlyavtsev, Aleksandr V.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 448 KB

english, 2003

4

Enthalpy of sublimation of dibenzofuran: a redetermination

Verevkin, Sergey P.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 73 KB

english, 2003

5

Quantitative analysis of defective sites in titanium(IV) oxide photocatalyst powders

Ikeda, Shigeru, Sugiyama, Noboru, Murakami, Shin-ya, Kominami, Hiroshi, Kera, Yoshiya, Noguchi, Hidenori, Uosaki, Kohei, Torimoto, Tsukasa, Ohtani, Bunsho

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 148 KB

english, 2003

6

Complementary nature of hydrogen bond basicity and acidity scales from electrostatic and atoms in molecules properties

Lamarche, Olivier, Platts, James A.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 155 KB

english, 2003

7

The influence of surface potential on quantities measuring for metal oxide/electrolyte solution interface: theoretical study based on 1-pK and 2-pK surface charging models

Piasecki, Wojciech

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 223 KB

english, 2003

8

Role of hydrophobic counteranions in the ion pair extraction of lanthanides(iii) with an electrically neutral extractant

Suzuki, Hideya, Naganawa, Hirochika, Tachimori, Shoichi

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 198 KB

english, 2003

9

Experimental and theoretical studies on solvent effects of amphiphilic conjugated polyenalsElectronic supplementary information (ESI) available: Table S1: dipole moments, energies of solvation, HOMO–LUMO band gaps and solvent effects on the first pi–pi transition of the studied alkoxyphenylpolyenals. See http://www.rsc.org/suppdata/cp/b2/b208125c/

Domagalska, Beata W., Wilk, Kazimiera A., Wysocki, Stanisław

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 388 KB

english, 2003

10

A computational study of cation defects in LaGaO3

De Souza, Roger A., Maier, Joachim

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 367 KB

english, 2003

11

Infrared spectroscopic study of polaron formation in electrochemically synthesised poly(3-alkylpyrroles)

Costantini, N., Lupton, J. M.

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 264 KB

english, 2003

12

Effect of temperature on the volume and compressibilities of some amphiphilic penicillins in aqueous solution

Taboada, Pablo, Gutiérrez-Pichel, Manuel, Barbosa, Silvia, Attwood, David, Mosquera, Víctor

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 162 KB

english, 2003

13

High resolution spectroscopy and structure of molecular dications

Cox, Simon G., Critchley, Andrew D. J., Kreynin, Peter S., McNab, Iain R, Shiell, Ralph C., Smith, Fiona E

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 416 KB

english, 2003

14

Characterization of alumina surfaces by fluorescence spectroscopy : Part 2. Photophysics of a bound pyrene derivative as a probe of the spatial distribution of reactive hydroxyl groups

Métivier, Rémi, Leray, Isabelle, Lefèvre, Jean-Pierre, Roy-Auberger, Magalie, Zanier-Szydlowski, Nathalie, Valeur, Bernard

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 244 KB

english, 2003

15

XAFS study on the local structure of Ti in amorphous mesoporous titania

Yoshitake, Hideaki, Sugihara, Tae, Tatsumi, Takashi

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 135 KB

english, 2003

16

The effect of water on NMR spin–spin couplings in DNA: Improvement of calculated values by application of two solvent models

Sychrovský, Vladimír, Schneider, Bohdan, Hobza, Pavel, Žídek, Lukáš, Sklenář, Vladimír

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 144 KB

english, 2003

17

Homolytic bond dissociation energies associated with acyl radicals and electron demands of acyl groupsElectronic supplementary information (ESI) available: Effects of method and basis on geometry optimizations, radical structures, bond orders, spins and bond lengths. See http://www.rsc.org/suppdata/cp/b2/b211078d/

Feng, Yong, Huang, Hao, Liu, Lei, Guo, Qing-Xiang

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 171 KB

english, 2003

18

Sorbate-induced changes in the framework of the titanosilicate ETS-10 as detected by 29Si MAS NMR spectroscopy and X-ray powder diffraction

Zibrowius, Bodo, Weidenthaler, Claudia, Schmidt, Wolfgang

Journal:

Physical Chemistry Chemical Physics

Year:

2003

Language:

english

File:

PDF, 158 KB

english, 2003

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