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Physical Chemistry Chemical Physics

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Contents list for Physical Chemistry Chemical Physics, issue 10, 2005

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Front cover
Phys. Chem. Chem. Phys., 2005, 7, 2085
DOI: 10.1039/b505812k

front cover image for Physical Chemistry Chemical Physics, Issue 10, 2005


Inside front cover
Phys. Chem. Chem. Phys., 2005, 7, 2086
DOI: 10.1039/b505932c

inside front cover image for Physical Chemistry Chemical Physics, Issue 10, 2005


Contents
Phys. Chem. Chem. Phys., 2005, 7, 2087
DOI: 10.1039/b505813a

Invited Article

Conical intersections: A perspective on the computation of spectroscopic Jahn–Teller parameters and the degenerate intersection space
Martin J. Paterson, Michael J. Bearpark, Michael A. Robb, Lluís Blancafort and Graham A. Worth,  Phys. Chem. Chem. Phys., 2005, 7, 2100
DOI: 10.1039/b416538a

Papers

THEORETICAL STUDIES AND METHODS

Stabilization of very rare tautomers of uracil by an excess electron
Rafa A. Bachorz, Janusz Rak and Maciej Gutowski,  Phys. Chem. Chem. Phys., 2005, 7, 2116
DOI: 10.1039/b503745j

Ground state and electronic spectrum of Cu(II) and Cu(III) complexes of N,N-1,2-phenylenebis-2-mercaptoacetamide
Giampaolo Barone, Arturo Silvestri and Björn O. Roos,  Phys. Chem. Chem. Phys., 2005, 7, 2126
DOI: 10.1039/b501029b

Coupling of ion and network dynamics in lithium silicate glasses: a computer study
Magnus Kunow and Andreas Heuer,  Phys. Chem. Chem. Phys., 2005, 7, 2131
DOI: 10.1039/b501265a

SPECTROSCOPY

Electronic absorption spectrum of a nonlinear carbon chain: trans-C6H4+
Mitsunori Araki, Tomasz Motylewski, Przemyslaw Kolek and John P. Maier,  Phys. Chem. Chem. Phys., 2005, 7, 2138
DOI: 10.1039/b500052a

Rotational isomers of hydroxy deuterated o- and m-cresols studied by ultraviolet high resolution experiments
Grzegorz Myszkiewicz, W. Leo Meerts, Christian Ratzer and Michael Schmitt,  Phys. Chem. Chem. Phys., 2005, 7, 2142
DOI: 10.1039/b418847k

KINETICS AND REACTION DYNAMICS

Time-sliced ion imaging study of I2 and I2+ photolysis at 532 nm
Chen-Lin Liu, Hsu-Chen Hsu and Chi-Kung Ni,  Phys. Chem. Chem. Phys., 2005, 7, 2151
DOI: 10.1039/b501723h

Kinetics of the gas phase HO2 self-reaction: Effects of temperature, pressure, water and methanol vapours
Daniel Stone and David M. Rowley,  Phys. Chem. Chem. Phys., 2005, 7, 2156
DOI: 10.1039/b502673c

A discharge–flow study of the kinetics of the reactions of IO with CH3O2 and CF3O2
Catherine S. E. Bale, Carlos E. Canosa-Mas, Dudley E. Shallcross and Richard P. Wayne,  Phys. Chem. Chem. Phys., 2005, 7, 2164
DOI: 10.1039/b501903f

Kinetics study of the reaction of iodine monoxide radicals with dimethyl sulfide
Tom Gravestock, Mark A. Blitz and Dwayne E. Heard,  Phys. Chem. Chem. Phys., 2005, 7, 2173
DOI: 10.1039/b502989a

The kinetics of the gas-phase decomposition of the 2-methyl-2-butoxyl and 2-methyl-2-pentoxyl radicals
David Johnson, Scott Carr and R. Anthony Cox,  Phys. Chem. Chem. Phys., 2005, 7, 2182
DOI: 10.1039/b501416f

Evidencing a reaction intermediate in the formation of the EuIII bimetallic complex with p-tert-butylcalix[8]arene
Jean-Claude G. Bünzli and Frédéric Besançon,  Phys. Chem. Chem. Phys., 2005, 7, 2191
DOI: 10.1039/b500850f

STATISTICAL MECHANICS AND THERMODYNAMICS

Speed of sound measurements conducted at high pressures on aqueous alcohol and aqueous diol systems at T= 298.15 K
Andrew W. Hakin and Harald Høiland,  Phys. Chem. Chem. Phys., 2005, 7, 2199
DOI: 10.1039/b503594e

NANOSCIENCES

A small spherical liquid: A DFT molecular dynamics study of WAu12
Kirsi Manninen, Pekka Pyykkö and Hannu Häkkinen,  Phys. Chem. Chem. Phys., 2005, 7, 2208
DOI: 10.1039/b503656a

SURFACES AND INTERFACES

Low energy electron driven reactions in single formic acid molecules (HCOOH) and their homogeneous clusters
Isabel Martin, Tomas Skalicky, Judith Langer, Hassan Abdoul-Carime, Grzegorz Karwasz, Eugen Illenberger, Michal Stano and Stefan Matejcik,  Phys. Chem. Chem. Phys., 2005, 7, 2212
DOI: 10.1039/b503517a

BIOPHYSICAL CHEMISTRY

Local compressibilities in insulin as determined from pressure tuning hole burning experiments and MD simulations
Christoph Schnell, Maria Reif, Christina Scharnagl and Josef Friedrich,  Phys. Chem. Chem. Phys., 2005, 7, 2217
DOI: 10.1039/b502056p

Effects of internal noise for calcium signaling in a coupled cell system
Jiqian Zhang, Zhonghuai Hou and Houwen Xin,  Phys. Chem. Chem. Phys., 2005, 7, 2225
DOI: 10.1039/b501344e

Hydrogen-bond network probed by time-resolved optoacoustic spectroscopy: photoactive yellow protein and the effect of E46Q and E46A mutations
Aba Losi, Thomas Gensch, Michael A. van der Horst, Klaas J. Hellingwerf and Silvia E. Braslavsky,  Phys. Chem. Chem. Phys., 2005, 7, 2229
DOI: 10.1039/b419079c

MATERIALS AND MACROMOLECULES

Palladium nanoclusters in microcapsule membranes: From synthetic shells to synthetic cells
Daan H. Turkenburg, Alexei A. Antipov, Mehul B. Thathagar, Gadi Rothenberg, Gleb B. Sukhorukov and Erika Eiser,  Phys. Chem. Chem. Phys., 2005, 7, 2237
DOI: 10.1039/b502029h

CATALYSIS

Nickel and either tantalum or niobium-codoped TiO2 and SrTiO3 photocatalysts with visible-light response for H2 or O2 evolution from aqueous solutions
Ryo Niishiro, Hideki Kato and Akihiko Kudo,  Phys. Chem. Chem. Phys., 2005, 7, 2241
DOI: 10.1039/b502147b

Back matter
Phys. Chem. Chem. Phys., 2005, 7, 2246
DOI: 10.1039/b505814g

Back cover
Phys. Chem. Chem. Phys., 2005, 7, 2247
DOI: 10.1039/b505815p