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Contents list for Physical Chemistry Chemical Physics, issue 16, 2005
Front cover
Phys. Chem. Chem. Phys., 2005, 7, 2981
DOI: 10.1039/b510365g
Inside front cover
Phys. Chem. Chem. Phys., 2005, 7, 2982
DOI: 10.1039/b510366p
Contents
Phys. Chem. Chem. Phys., 2005, 7, 2983
DOI: 10.1039/b510367n
Invited Article
Exchange methods in Kohn–Sham theory
Andrew M. Teale and David J. Tozer,
Phys. Chem. Chem. Phys., 2005, 7, 2991
DOI: 10.1039/b506082f
Papers
THEORETICAL STUDIES AND METHODS
Ab initio cluster calculations for the absorption energies of F and F+ centers in bulk ZnO
Karin Fink,
Phys. Chem. Chem. Phys., 2005, 7, 2999
DOI: 10.1039/b505346c
SPECTROSCOPY
The effect of cooperative hydrogen bonding on the OH stretching-band shift for water clusters studied by matrix-isolation infrared spectroscopy and density functional theory
Keiichi Ohno, Mari Okimura, Nobuyuki Akai and Yukiteru Katsumoto,
Phys. Chem. Chem. Phys., 2005, 7, 3005
DOI: 10.1039/b506641g
IR-UV double resonance spectroscopy of guanine–H2O clusters
Bridgit Crews, Ali Abo-Riziq, Louis Grace, Michael Callahan, Martin Kabelá
, Pavel Hobza and Mattanjah S. de Vries,
Phys. Chem. Chem. Phys., 2005, 7, 3015
DOI: 10.1039/b506107e
Tautomers and electronic states of jet-cooled 2-aminopurine investigated by double resonance spectroscopy and theory
Kai A. Seefeld, Christian Plützer, Dennis Löwenich, Thomas Häber, Rolf Linder, Karl Kleinermanns, Jörg Tatchen and Christel M. Marian,
Phys. Chem. Chem. Phys., 2005, 7, 3021
DOI: 10.1039/b505954b
C–H
O Hydrogen bonding in 4-phenyl-benzaldehyde: A comprehensive crystallographic, spectroscopic and computational study
Pedro D. Vaz, Mariela Nolasco, Nelson Fonseca, Ana M. Amado, António M. Amorim da Costa, Vitor Félix, Michael. G. B. Drew, Brian J. Goodfellow and Paulo J. A. Ribeiro-Claro,
Phys. Chem. Chem. Phys., 2005, 7, 3027
DOI: 10.1039/b506834g
KINETICS AND REACTION DYNAMICS
The photophysical properties of a julolidene-based molecular rotor
Ben D. Allen, Andrew C. Benniston, Anthony Harriman, Sarah A. Rostron and Chunfang Yu,
Phys. Chem. Chem. Phys., 2005, 7, 3035
DOI: 10.1039/b507165h
The effect of solvent polarity on the photophysical properties of 4-cyano-(4
-methylthio)diphenylacetylene: A prototypic donor–acceptor system
Andrew C. Benniston, Anthony Harriman and James P. Rostron,
Phys. Chem. Chem. Phys., 2005, 7, 3041
DOI: 10.1039/b506776f
SURFACES AND INTERFACES
Penetration of surfactant solutions into hydrophobic capillaries
Colin D. Bain,
Phys. Chem. Chem. Phys., 2005, 7, 3048
DOI: 10.1039/b508632a
Thermomorphic phase separation in ionic liquid–organic liquid systems—conductivity and spectroscopic characterization
Anders Riisager, Rasmus Fehrmann, Rolf W. Berg, Roy van Hal and Peter Wasserscheid,
Phys. Chem. Chem. Phys., 2005, 7, 3052
DOI: 10.1039/b505588a
Superoxide radical anions on the surface of zirconia and sulfated zirconia: formation mechanisms, properties and structure
Alexander F. Bedilo, Mikhail A. Plotnikov, Natalya V. Mezentseva, Alexander M. Volodin, Georgii M. Zhidomirov, Ilya M. Rybkin and Kenneth J. Klabunde,
Phys. Chem. Chem. Phys., 2005, 7, 3059
DOI: 10.1039/b504262c
BIOPHYSICAL CHEMISTRY
Benchmark calculations of proton affinities and gas-phase basicities of molecules important in the study of biological phosphoryl transfer
Kevin Range, Demian Riccardi, Qiang Cui, Marcus Elstner and Darrin M. York,
Phys. Chem. Chem. Phys., 2005, 7, 3070
DOI: 10.1039/b504941e
MATERIALS AND MACROMOLECULES
Hyperpolarized 129Xe NMR investigation of multifunctional organic/inorganic hybrid mesoporous silica materials
Shing-Jong Huang, Seong Huh, Pang-Shueng Lo, Shou-Heng Liu, Victor S.-Y. Lin and Shang-Bin Liu,
Phys. Chem. Chem. Phys., 2005, 7, 3080
DOI: 10.1039/b506280b
CATALYSIS
On two alternative mechanisms of ethane activation over ZSM-5 zeolite modified by Zn2+ and Ga1+ cations
V. B. Kazansky, I. R. Subbotina, N. Rane, R. A. van Santen and E. J. M. Hensen,
Phys. Chem. Chem. Phys., 2005, 7, 3088
DOI: 10.1039/b506782k
An infrared and inelastic neutron scattering spectroscopic investigation on the interaction of 
-alumina and methanol
Alastair R. McInroy, David T. Lundie, John M. Winfield, Chris C. Dudman, Peter Jones, Stewart F. Parker, Jon W. Taylor and D. Lennon,
Phys. Chem. Chem. Phys., 2005, 7, 3093
DOI: 10.1039/b505974g
The synergic effect between Mo species and acid sites in Mo/HMCM-22 catalysts for methane aromatization
Ding Ma, Qingjun Zhu, Zili Wu, Danhong Zhou, Yuying Shu, Qin Xin, Yide Xu and Xinhe Bao,
Phys. Chem. Chem. Phys., 2005, 7, 3102
DOI: 10.1039/b502794b
Back matter
Phys. Chem. Chem. Phys., 2005, 7, 3110
DOI: 10.1039/b510368c
Back cover
Phys. Chem. Chem. Phys., 2005, 7, 3111
DOI: 10.1039/b510369j
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