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Physical Chemistry Chemical Physics

High quality research in physical chemistry, chemical physics and biophysical chemistry.



Contents list for Physical Chemistry Chemical Physics, issue 11, 2005

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Front cover
Phys. Chem. Chem. Phys., 2005, 7, 2249
DOI: 10.1039/b506509g

front cover image for Physical Chemistry Chemical Physics, Issue 11, 2005


Contents
Phys. Chem. Chem. Phys., 2005, 7, 2251
DOI: 10.1039/b506510k

Papers

SPECTROSCOPY

Theoretical study of the ArH+ electronic states
Andrey V. Stolyarov and Mark S. Child,  Phys. Chem. Chem. Phys., 2005, 7, 2259
DOI: 10.1039/b501400j

Study of the 1 band shape of the H2OHF, H2ODF, and H2OHCl complexes in the gas phase
V. P. Bulychev, I. M. Grigoriev, E. I. Gromova and K. G. Tokhadze,  Phys. Chem. Chem. Phys., 2005, 7, 2266
DOI: 10.1039/b502092a

KINETICS AND REACTION DYNAMICS

Cation diffusion and ionic conductivity in soda-lime silicate glasses
F. V. Natrup, H. Bracht, S. Murugavel and B. Roling,  Phys. Chem. Chem. Phys., 2005, 7, 2279
DOI: 10.1039/b502501j

Threshold photoelectron–photoion coincidence spectroscopy study of CHCl2F+, CHClF+2 and CH2ClF+: Steric influence of the chlorine, fluorine and hydrogen atoms
Chris R. Howle, Daniel J. Collins, Richard P. Tuckett and Andrew E. R. Malins,  Phys. Chem. Chem. Phys., 2005, 7, 2287
DOI: 10.1039/b501838b

Kinetics and products of the OH radical-initiated reaction of 3-methyl-2-butenal
Ernesto C. Tuazon, Sara M. Aschmann, Noriko Nishino, Janet Arey and Roger Atkinson,  Phys. Chem. Chem. Phys., 2005, 7, 2298
DOI: 10.1039/b503598h

Double many-body expansion potential energy surface for ground state HSO2
M. Y. Ballester and A. J. C. Varandas,  Phys. Chem. Chem. Phys., 2005, 7, 2305
DOI: 10.1039/b500990a

Relative rates of reaction of 13C16O, 12C18O, 12C17O and 13C18O with OH and OD radicals
Karen L. Feilberg, Matthew S. Johnson and Claus J. Nielsen,  Phys. Chem. Chem. Phys., 2005, 7, 2318
DOI: 10.1039/b503350k

STATISTICAL MECHANICS AND THERMODYNAMICS

Nuclear quantum effects on the structure and energetics of (H2O)6H+
Massimo Mella, Jer-Lai Kuo, David C. Clary and Michael L. Klein,  Phys. Chem. Chem. Phys., 2005, 7, 2324
DOI: 10.1039/b501678a

ELECTROCHEMISTRY

Electroreduction of tantalum fluoride in a room temperature ionic liquid at variable temperatures
S. Zein El Abedin, H. K. Farag, E. M. Moustafa, U. Welz-Biermann and F. Endres,  Phys. Chem. Chem. Phys., 2005, 7, 2333
DOI: 10.1039/b502789f

SURFACES AND INTERFACES

Diffuse neutron scattering in relaxor ferroelectric PbMg1/3Nb2/3O3
Sergey Vakhrushev, Alexandre Ivanov and Jiri Kulda,  Phys. Chem. Chem. Phys., 2005, 7, 2340
DOI: 10.1039/b416454g

DFT plane wave calculations of the atomic and electronic structure of LaMnO3(001) surface
E. A. Kotomin, R. A. Evarestov, Yu. A. Mastrikov and J. Maier,  Phys. Chem. Chem. Phys., 2005, 7, 2346
DOI: 10.1039/b503272e

Packing of adsorbed molecules in microporous polymorphs aluminium methylphosphonates and
Christian Schumacher, Jorge Gonzalez, Paul A. Wright and Nigel A. Seaton,  Phys. Chem. Chem. Phys., 2005, 7, 2351
DOI: 10.1039/b501685a

Comparison of surface structures of poly(ethyl methacrylate) and poly(ethyl acrylate) in different chemical environments
Chunyan Chen, Matthew L. Clarke, Jie Wang and Zhan Chen,  Phys. Chem. Chem. Phys., 2005, 7, 2357
DOI: 10.1039/b501910a

BIOPHYSICAL CHEMISTRY

A computational pathway for bracketing native-like structures for small alpha helical globular proteins
Pooja Narang, Kumkum Bhushan, Surojit Bose and B. Jayaram,  Phys. Chem. Chem. Phys., 2005, 7, 2364
DOI: 10.1039/b502226f

A correlation between the proton stretching vibration red shift and the hydrogen bond length in polycrystalline amino acids and peptides
Mark Rozenberg, Gil Shoham, Igor Reva and Rui Fausto,  Phys. Chem. Chem. Phys., 2005, 7, 2376
DOI: 10.1039/b503644e

MATERIALS AND MACROMOLECULES

Cation environments and spatial distribution in Na2O–B2O3 glasses: New results from solid state NMR
Jan Dirk Epping, Wenzel Strojek and Hellmut Eckert,  Phys. Chem. Chem. Phys., 2005, 7, 2384
DOI: 10.1039/b502265g

Dynamics of reversible supramolecular polymers: Independent determination of the dependence of linear viscoelasticity on concentration and chain length by using chain stoppers
W. Knoben, N. A. M. Besseling, L. Bouteiller and M.A. Cohen Stuart,  Phys. Chem. Chem. Phys., 2005, 7, 2390
DOI: 10.1039/b503463a

CATALYSIS

Pattern formation in heterogeneous catalytic reactions with promoters and poisons
Vladimir P. Zhdanov,  Phys. Chem. Chem. Phys., 2005, 7, 2399
DOI: 10.1039/b504324g

Back cover
Phys. Chem. Chem. Phys., 2005, 7, 2403
DOI: 10.1039/b506512g