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Contents list for Physical Chemistry Chemical Physics, issue 13, 2005
Front cover
Phys. Chem. Chem. Phys., 2005, 7, 2537
DOI: 10.1039/b508085c
Contents
Phys. Chem. Chem. Phys., 2005, 7, 2539
DOI: 10.1039/b508086j
Contents
Phys. Chem. Chem. Phys., 2005, 7, 2547
DOI: 10.1039/b508582a
Communications
Measuring rates of reaction in supercooled organic particles with implications for atmospheric aerosol
John D. Hearn and Geoffrey D. Smith,
Phys. Chem. Chem. Phys., 2005, 7, 2549
DOI: 10.1039/b506424d
Linear relationship between activation energies and reaction energies for coverage-dependent dissociation reactions on rhodium surfaces
Oliver R. Inderwildi, Dirk Lebiedz and Jürgen Warnatz,
Phys. Chem. Chem. Phys., 2005, 7, 2552
DOI: 10.1039/b506773a
Papers
THEORETICAL STUDIES AND METHODS
Ab initio study of chiral recognition in the propylene imine·hydrogen peroxide complex
Zheng Su and Yunjie Xu,
Phys. Chem. Chem. Phys., 2005, 7, 2554
DOI: 10.1039/b504191k
Computational studies of 13C NMR chemical shifts of saccharides
Stefan Taubert, Henrik Konschin and Dage Sundholm,
Phys. Chem. Chem. Phys., 2005, 7, 2561
DOI: 10.1039/b505546f
SPECTROSCOPY
Pure rotational spectra of LuF and LuCl
Stephen A. Cooke, Christine Krumrey and Michael C. L. Gerry,
Phys. Chem. Chem. Phys., 2005, 7, 2570
DOI: 10.1039/b502683k
Side-hole to anti-hole conversion in time-resolved transient spectral hole-burning of emerald: ground state level versus excited state population storage in low magnetic fields
Brendan F. Hayward and Hans Riesen,
Phys. Chem. Chem. Phys., 2005, 7, 2579
DOI: 10.1039/b502079d
Rotational tunneling of methyl groups in low temperature phases of mesitylene: potentials and structural implications
M. Prager, H. Grimm and I. Natkaniec,
Phys. Chem. Chem. Phys., 2005, 7, 2587
DOI: 10.1039/b503342j
A computational study of the excited states of bilirubin IX
Giovanni Granucci, Marina Mazzoni, Maurizio Persico and Alessandro Toniolo,
Phys. Chem. Chem. Phys., 2005, 7, 2594
DOI: 10.1039/b500661a
KINETICS AND REACTION DYNAMICS
The heterogeneous interaction of HOCl with solid KBr substrates: The catalytic role of adsorbed halogens
Ch. Santschi and M. J. Rossi,
Phys. Chem. Chem. Phys., 2005, 7, 2599
DOI: 10.1039/b503071d
Bubble guidance of tubular growth in reaction–precipitation systems
Stephanie Thouvenel-Romans, Jason J. Pagano and Oliver Steinbock,
Phys. Chem. Chem. Phys., 2005, 7, 2610
DOI: 10.1039/b504407c
Molecular dynamics investigation of oxygen vacancy diffusion in rutile
Karl Jug, Nisanth N. Nair and Thomas Bredow,
Phys. Chem. Chem. Phys., 2005, 7, 2616
DOI: 10.1039/b502507a
MATERIALS AND MACROMOLECULES
Molecular simulations of the adsorption of cycloalkanes in MFI-type silica
Merijn Schenk, Berend Smit, Theo L. M. Maesen and Thijs J. H. Vlugt,
Phys. Chem. Chem. Phys., 2005, 7, 2622
DOI: 10.1039/b504006j
SURFACES AND INTERFACES
The role of Oad in the decomposition of NH3 adsorbed on Ir(110): a combined TPD and high-energy resolution fast XPS study
C. J. Weststrate, J. W. Bakker, E. D. L. Rienks, C. P. Vinod, S. Lizzit, L. Petaccia, A. Baraldi and B. E. Nieuwenhuys,
Phys. Chem. Chem. Phys., 2005, 7, 2629
DOI: 10.1039/b502350e
Study of the adsorption of sodium dodecyl sulfate (SDS) at the air/water interface: targeting the sulfate headgroup using vibrational sum frequency spectroscopy
C. Magnus Johnson and Eric Tyrode,
Phys. Chem. Chem. Phys., 2005, 7, 2635
DOI: 10.1039/b505219j
Review
BIOPHYSICAL CHEMISTRY
Quasielastic neutron scattering and relaxation processes in proteins: analytical and simulation-based models
Gerald R. Kneller,
Phys. Chem. Chem. Phys., 2005, 7, 2641
DOI: 10.1039/b502040a
Papers
CATALYSIS
The cluster Ir4 and its interaction with a hydrogen impurity. A density functional study
Chuenchit Bussai, Sven Krüger, Georgi N. Vayssilov and Notker Rösch,
Phys. Chem. Chem. Phys., 2005, 7, 2656
DOI: 10.1039/b505241f
Investigations into the metal species of the homogeneous iron(III) catalyzed Michael addition reactions
Matthias Bauer, Thomas Kauf, Jens Christoffers and Helmut Bertagnolli,
Phys. Chem. Chem. Phys., 2005, 7, 2664
DOI: 10.1039/b501204j
Effect of structure of the redox molecular sieve TS-1 on the oxidation of phenol, crotyl alcohol and norbornylene
Owain J. Kerton, Paul McMorn, Donald Bethell, Frank King, Frederick Hancock, Andrew Burrows, Christopher J. Kiely, Simon Ellwood and Graham Hutchings,
Phys. Chem. Chem. Phys., 2005, 7, 2671
DOI: 10.1039/b503241e
Back matter
Phys. Chem. Chem. Phys., 2005, 7, 2679
DOI: 10.1039/b508088f
Back cover
Phys. Chem. Chem. Phys., 2005, 7, 2683
DOI: 10.1039/b508089b
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