Volume 3; Issue 23

Physical Chemistry Chemical Physics

Volume 3; Issue 23

1

Molecular states of water in room temperature ionic liquidsElectronic Supplementary Information available. See http://www.rsc.org/suppdata/cp/b1/b106900d/

Cammarata, L., Kazarian, S. G., Salter, P. A., Welton, T.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 213 KB

english, 2001

2

A direct simulation of EPR slow-motion spectra of spin labelled phospholipids in liquid crystalline bilayers based on a molecular dynamics simulation of the lipid dynamics

Håkansson, P., Westlund, P. O., Lindahl, E., Edholm, O.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 283 KB

english, 2001

3

Size-dependent optical properties of nanocrystalline CeO2 :Er obtained by combustion synthesis

Xijuan, Yu, Pingbo, Xie, Qingde, Su

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 225 KB

english, 2001

4

Approximate density-functional calculations of spin densities in large molecular systems and complex solids

Köhler, C., Seifert, G., Gerstmann, U., Elstner, M., Overhof, H., Frauenheim, Th.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 172 KB

english, 2001

5

Isobaric thermal expansivity and thermophysical characterization of liquids and liquid mixturesElectronic Supplementary Information available. See http://www.rsc.org/suppdata/cp/b1/b104891k/

Cerdeiriña, Claudio A., Tovar, Clara A., González-Salgado, Diego, Carballo, Enrique, Romaní, Luis

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 205 KB

english, 2001

6

Solvent effect on the quenching of singlet oxygen by 3-methylindole

Lemp, Else, Pizarro, Nancy, Encinas, María Victoria, Zanocco, Antonio L.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 132 KB

english, 2001

7

The electronic spectra of alkali metal uranates and band assignments: an analysis of their diffuse reflectance spectra

Volkovich, Vladimir A., Griffiths, Trevor R., Fray, Derek J., Thied, Robert C.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 269 KB

english, 2001

8

The concept of two stochastic processes in liquid water and analytical theory of the complex permittivity in the wavenumber range 0–1000 cm–1

Gaiduk, V. I., Vij, J. K.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 187 KB

english, 2001

9

FTIR study of CO and NOx adsorption and co-adsorption on Cu/silicalite-1

Milushev, Atanas, Hadjiivanov, Konstantin

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 152 KB

english, 2001

10

Modeling of ion transport processes in disordered solids: Monte Carlo simulations of the low-temperature particle dynamics in the random barrier model

Roling, Bernhard

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 194 KB

english, 2001

11

PCCP and its isomers: a theoretical studyElectronic Supplementary Information available. See http://www.rsc.org/suppdata/cp/b1/b106927f/

Hajgató, Balázs, Pham-Tran, Nguyen-Nguyen, Veszprémi, Tamás, Nguyen, Minh Tho

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 153 KB

english, 2001

12

A theoretical study of the structure of Ni clusters (Ni N)

Grigoryan, V. G., Springborg, M.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 188 KB

english, 2001

13

Dynamics of the multifragmentation of Nan+ clusters (4 ≤ n ≤ 9)

Sizun, Muriel, Aguillon, François

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 143 KB

english, 2001

14

Combinations of simulation and integral equation theory

Kast, Stefan M.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 176 KB

english, 2001

15

Temperature dependence of carbon isotope effects in CO/CO complex exchange reactions

Du, Jinzhou, Fujii, Yasuhiko

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 172 KB

english, 2001

16

Thermoanalytic and spectroscopic investigations of hydride structures on the surface of amorphous silicon dioxide

Braun, Marek, Nestler, Klaus, Marx, Günter

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 189 KB

english, 2001

17

Structure and dynamics of lithium silicate melts: molecular dynamics simulations

Banhatti, Radha D., Heuer, Andreas

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 147 KB

english, 2001

18

A polarizable model for MD simulations of weakly polar solvents

Scherer, Philipp O. J.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 123 KB

english, 2001

19

Photoexcited spin triplet states in zinc phthalocyanine studied by transient EPR

Barbon, Antonio, Brustolon, Marina, van Faassen, Ernst E.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 138 KB

english, 2001

20

Structural and electronic properties of small titanium–carbon clusters (metcars)

Joswig, Jan-Ole, Springborg, Michael, Seifert, Gotthard

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 137 KB

english, 2001

21

The electronic structure of the catalytic intermediate Ni-C in [NiFe] and [NiFeSe] hydrogenasesElectronic Supplementary Information available. See http://www.rsc.org/suppdata/cp/b1/b105723p/

Stein, Matthias, Lubitz, Wolfgang

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 191 KB

english, 2001

22

Solvent assisted proton transfer processes in phenol–amine complexes revealed in effective dipole moments

Kuc, Teresa, Pawełka, Zbigniew, Sobczyk, Lucjan

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 160 KB

english, 2001

23

Rhenium(III) chloride vaporisation and vapor complexation in the rhenium(III) chloride–aluminium(III) chloride systemElectronic Supplementary Information available. See http://www.rsc.org/suppdata/cp/b1/b106326j/

Christodoulakis, Antonios, Maronitis, Constantinos, Boghosian, Soghomon

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 197 KB

english, 2001

24

Microcorrosion and shock-affected zone investigation at anodic films on aluminium alloys by pulse laser depassivation

Cortona, Anna, Kautek, Wolfgang

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 487 KB

english, 2001

25

Oxidative corrosion of adhesive interlayers

Köstlmeier-Gemming, Sibylle, Elsässer, Christian

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 209 KB

english, 2001

26

Determination of the transfer thermodynamic functions for some monovalent ions from water to N,N′-dimethylpropyleneurea

Smirnov, Pavel, Weng, Linhong, Persson, Ingmar

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 156 KB

english, 2001

27

Chemical etching and anodic oxidation of (100) silicon in alkaline solution: the role of applied potential

Xia, X. H., Kelly, J. J.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 218 KB

english, 2001

28

Preparation of boron nitride thin films by microwave PECVD and their analytical characterisation

Thamm, T., Baumann, W., Dietrich, D., Meyer, N., Stöckel, S., Marx, G.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 321 KB

english, 2001

29

Structures of mercury clusters in a quantum–empirical hybrid model

Hartke, Bernd, Flad, Heinz-Jürgen, Dolg, Michael

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 369 KB

english, 2001

30

EQCM contributions to the reactions of the nickel oxide electrode

Ohligschläger, T., Schwitzgebel, G.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 211 KB

english, 2001

31

Spontaneous fission of atmospheric aerosol particles

Donaldson, D. J., Tuck, A. F., Vaida, V.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 123 KB

english, 2001

32

A thermodynamic study of herring protamine–DNA complex by differential scanning calorimetry

Esposito, Diego, Del Vecchio, Pompea, Barone, Guido

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 166 KB

english, 2001

33

Mesoscale modelling studies of microemulsions

Bearchell, C. A., Heyes, D. M.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 486 KB

english, 2001

34

Extraction of silver (I) by calixarene amine derivatives: The medium effect on the stoichiometry of the phase transfer extraction process

Danil de Namor, Angela F., Goitia, Maria T., Casal, Alberto R., Villanueva-Salas, Jose

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 185 KB

english, 2001

35

Photoinduced charge separation at room temperature of N-alkylpyrenes in transition metal ion containing mesoporous SiMCM-41 and MeMCM-41 silica molecular sieves where Me=Ti(IV), V(V), Ni(II), Co(II) and Cu(II)

Krishna, R. M., Kevan, L.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 203 KB

english, 2001

36

The first chromium-53 solid-state nuclear magnetic resonance spectra of diamagnetic chromium(0) and chromium(VI) compounds

Bryce, David L., Wasylishen, Roderick E.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 149 KB

english, 2001

37

Electrochemical formation and properties of n-GaAs/Au and n-GaAs/Ag Schottky barriers: Influence of surface composition upon the barrier height

De Vrieze, A., Strubbe, K., Gomes, W. P., Forment, S., Van Meirhaeghe, R. L.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 216 KB

english, 2001

38

Conformational preferences, rotational barriers and energetics of purine nucleobase rotation and dissociation in square planar platinum(II) antitumour complexes: Structure–activity correlation

Tsipis, Athanassios C., Katsoulos, G. A.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 257 KB

english, 2001

39

Internal conversion with 4-(azetidinyl)benzonitriles in alkane solvents. Influence of fluoro substitution

Druzhinin, Sergey I., Jiang, Yun-Bao, Demeter, Attila, Zachariasse, Klaas A.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 296 KB

english, 2001

40

Membrane voltammetry: The interface between two immiscible electrolyte solutions

Kralj, Brett, Dryfe, Robert A. W.

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 242 KB

english, 2001

41

DFT study of MoS2 and hydrogen adsorbed on the (101̄0) face of MoS2

Alexiev, Valentin, Prins, Roel, Weber, Thomas

Journal:

Physical Chemistry Chemical Physics

Year:

2001

Language:

english

File:

PDF, 558 KB

english, 2001