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Contents list for Physical Chemistry Chemical Physics, issue 8, 2005
Front cover
Phys. Chem. Chem. Phys., 2005, 7, 1605
DOI: 10.1039/b504108m
Inside front cover
Phys. Chem. Chem. Phys., 2005, 7, 1606
DOI: 10.1039/B504292P
Contents
Phys. Chem. Chem. Phys., 2005, 7, 1607
DOI: 10.1039/b504109k
Communications
Experimental determination of the phonon density of states in filled skutterudites: evidence for a localized mode of the filling atom
R. Viennois, L. Girard, M. M. Koza, H. Mutka, D. Ravot, F. Terki, S. Charar and J.-C. Tedenac,
Phys. Chem. Chem. Phys., 2005, 7, 1617
DOI: 10.1039/b502655p
Free volume anomalies in mixed-cation glasses revealed by positron annihilation lifetime spectroscopy (PALS)
Malcolm D. Ingram, Steven J. Pas, Cornelia Cramer, Yong Gao and Anita J. Hill,
Phys. Chem. Chem. Phys., 2005, 7, 1620
DOI: 10.1039/b419201j
The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking
Ji
í 
erný and Pavel Hobza,
Phys. Chem. Chem. Phys., 2005, 7, 1624
DOI: 10.1039/b502769c
Invited Article
Probing the acid sites in confined spaces of microporous materials by vibrational spectroscopy
Adriano Zecchina, Giuseppe Spoto and Silvia Bordiga,
Phys. Chem. Chem. Phys., 2005, 7, 1627
DOI: 10.1039/b418763f
Papers
KINETICS AND REACTION DYNAMICS
A computational study of the atmospheric oxidation of nopinone
Peter J. Lewis, Katherine A. Bennett and Jeremy N. Harvey,
Phys. Chem. Chem. Phys., 2005, 7, 1643
DOI: 10.1039/b418909d
O(1D2) orbital orientation in the ultraviolet photodissociation of ozone
Suk Kyoung Lee, Dave Townsend, Oleg S. Vasyutinskii and Arthur G. Suits,
Phys. Chem. Chem. Phys., 2005, 7, 1650
DOI: 10.1039/b502371h
A laser photolysis–resonance fluorescence study of the reactions: I + O3
IO + O2, O + I2 IO + I, and I + NO2+ M INO2+ M at 298 K
María E. Tucceri, Terry J. Dillon and John N. Crowley,
Phys. Chem. Chem. Phys., 2005, 7, 1657
DOI: 10.1039/b502844b
Branching ratios and absolute cross sections of dissociative recombination processes of N2O+
M. Hamberg, W. D. Geppert, S. Rosén, F. Hellberg, A. Ehlerding, V. Zhaunerchyk, M. Kaminska, R. D. Thomas, M. af Ugglas, A. Källberg, A. Simonsson, A. Paal and M. Larsson,
Phys. Chem. Chem. Phys., 2005, 7, 1664
DOI: 10.1039/b417704e
The influence of heteroligands on the reactivity of Ni2+ in solution
Christian F. Schwenk, Thomas S. Hofer, Bernhard R. Randolf and Bernd M. Rode,
Phys. Chem. Chem. Phys., 2005, 7, 1669
DOI: 10.1039/b419072f
Chemical interpretation of oscillatory modes at a Hopf point
Sune Danø, Mads F. Madsen and Preben G. Sørensen,
Phys. Chem. Chem. Phys., 2005, 7, 1674
DOI: 10.1039/b415437a
The effect of oxygen on time-dependent bifurcations in the Belousov–Zhabotinsky oscillating chemical reaction in a batch
Yevhen Yu. Kalishyn, Ma
gorzata Rachwalska, Vyacheslav O. Khavrus and Peter E. Strizhak,
Phys. Chem. Chem. Phys., 2005, 7, 1680
DOI: 10.1039/b416006a
Monitoring reagent modification of charged SnxOy nanoclusters using Fourier transform ion cyclotron mass spectrometry
Phillip Jackson, Keith J. Fisher and Gary D. Willett,
Phys. Chem. Chem. Phys., 2005, 7, 1687
DOI: 10.1039/b418340a
SPECTROSCOPY
A theoretical spectroscopic study of HeI and HeBr
C. Léonard, F. Le Quéré and K. A. Peterson,
Phys. Chem. Chem. Phys., 2005, 7, 1694
DOI: 10.1039/b501253h
Theoretical investigation of the absorption and ionization spectrum of the super greenhouse gas SF5CF3
Mohamed Turki and Wolfgang Eisfeld,
Phys. Chem. Chem. Phys., 2005, 7, 1700
DOI: 10.1039/b500700c
The rotational spectra, electric dipole moments and molecular structures of anisole and benzaldehyde
O. Desyatnyk, L. Pszczókowski, S. Thorwirth, T. M. Krygowski and Z. Kisiel,
Phys. Chem. Chem. Phys., 2005, 7, 1708
DOI: 10.1039/b501041a
Femtosecond fluorescence spectroscopy by upconversion with tilted gate pulses
Lijuan Zhao, J. Luis Pérez Lustres, Vadim Farztdinov and Nikolaus P. Ernsting,
Phys. Chem. Chem. Phys., 2005, 7, 1716
DOI: 10.1039/b500108k
Photoluminescence properties of vapor deposited films of a bisazomethine dye
Takashi Kobayashi, Shinya Matsumoto, Toshihiko Tanaka, Hideyuki Kunugita, Kazuhiro Ema, Tetsuya Aoyama and Tatsuo Wada,
Phys. Chem. Chem. Phys., 2005, 7, 1726
DOI: 10.1039/b418351g
Assessment of theoretical prediction of the NMR shielding tensor of 195PtClxBr6–x2– complexes by DFT calculations: experimental and computational results
Emmanuel Penka Fowe, Peter Belser, Claude Daul and Henry Chermette,
Phys. Chem. Chem. Phys., 2005, 7, 1732
DOI: 10.1039/b500574d
Location and orientation of adsorbed molecules in zeolites from solid-state REAPDOR NMR
Gregory P. Holland and Todd M. Alam,
Phys. Chem. Chem. Phys., 2005, 7, 1739
DOI: 10.1039/b418943d
Local structure of [CuI(CO)2]+ adducts hosted inside ZSM-5 zeolite probed by EXAFS, XANES and IR spectroscopies
C. Prestipino, L. Capello, F. D
Acapito and C. Lamberti,
Phys. Chem. Chem. Phys., 2005, 7, 1743
DOI: 10.1039/b500780a
THEORETICAL STUDIES AND METHODS
The vibrational g-factor of dihydrogen from theoretical calculation and analysis of vibration-rotational spectra
Keld L. Bak, Stephan P. A. Sauer, Jens Oddershede and John F. Ogilvie,
Phys. Chem. Chem. Phys., 2005, 7, 1747
DOI: 10.1039/b500992h
Comparison of various Franck–Condon and vibronic coupling approaches for simulating electronic spectra: The case of the lowest photoelectron band of ethylene
Anirban Hazra and Marcel Nooijen,
Phys. Chem. Chem. Phys., 2005, 7, 1759
DOI: 10.1039/b500055f
A new orbital-based model for the analysis of experimental molecular charge densities: an application to (Z)-N-methyl-C-phenylnitrone
David E. Hibbs, Siân T. Howard, Jeremy P. Huke and Mark P. Waller,
Phys. Chem. Chem. Phys., 2005, 7, 1772
DOI: 10.1039/b416614k
STATISTICAL MECHANICS AND THERMODYNAMICS
Intramolecular anharmonicity in the naphthalene molecule: thermodynamics and spectral effects
Nguyen-Thi Van-Oanh, Pascal Parneix and Philippe Bréchignac,
Phys. Chem. Chem. Phys., 2005, 7, 1779
DOI: 10.1039/b414887h
A molecular theory of liquid interfaces
Andriy Kovalenko and Fumio Hirata,
Phys. Chem. Chem. Phys., 2005, 7, 1785
DOI: 10.1039/b416615a
BIOPHYSICAL CHEMISTRY
Structure and spatial distribution of the spin-labelled lipopeptide trichogin GA IV in a phospholipid membrane studied by pulsed electron–electron double resonance (PELDOR)
A. D. Milov, D. A. Erilov, E. S. Salnikov, Yu. D. Tsvetkov, F. Formaggio, C. Toniolo and J. Raap,
Phys. Chem. Chem. Phys., 2005, 7, 1794
DOI: 10.1039/b418414a
ELECTROCHEMISTRY
Supramolecular multilayer structures of wired redox enzyme electrodes
Ernesto J. Calvo, Claudia B. Danilowicz and Alejandro Wolosiuk,
Phys. Chem. Chem. Phys., 2005, 7, 1800
DOI: 10.1039/b500528k
Structural and electrochemical characterisation of Pt and Pd nanoparticles electrodeposited at the liquid/liquid interface: Part 2
Mark Platt and Robert A. W. Dryfe,
Phys. Chem. Chem. Phys., 2005, 7, 1807
DOI: 10.1039/b418933g
SURFACES AND INTERFACES
Light stability of pyrazolotriazole azamethine dyes at oil/aqueous interfaces
Chetan K. Parmar, Garry Rumbles and Christopher J. Winscom,
Phys. Chem. Chem. Phys., 2005, 7, 1815
DOI: 10.1039/b418363k
Decomposition of methanol on Au(310)
C. P. Vinod, J. W. Niemantsverdriet and B. E. Nieuwenhuys,
Phys. Chem. Chem. Phys., 2005, 7, 1824
DOI: 10.1039/b500094g
An experimental verification of the possible influence of gas nano-bubbles on the response of an electrochemical quartz crystal microbalance
Vladimir Tsionsky, Alexander Kaverin, Leonid Daikhin, Galina Katz and Eliezer Gileadi,
Phys. Chem. Chem. Phys., 2005, 7, 1830
DOI: 10.1039/b501147g
Development of a neutron detector based on a position-sensitive photomultiplier
Katsuya Hirota, Takenao Shinohara, Kazuaki Ikeda, Kenji Mishima, Tomohiro Adachi, Takahiro Morishima, Setsuo Satoh, Takayuki Oku, Satoru Yamada, Hajime Sasao, Jun-ichi Suzuki and Hirohiko M. Shimizu,
Phys. Chem. Chem. Phys., 2005, 7, 1836
DOI: 10.1039/b417838f
MATERIALS AND MACROMOLECULES
Surface diffusion and surface growth in nanofilms of mixed rocksalt oxides
D. J. Harris, T. S. Farrow, J. H. Harding, M. Yu. Lavrentiev, N. L. Allan, W. Smith and J. A. Purton,
Phys. Chem. Chem. Phys., 2005, 7, 1839
DOI: 10.1039/b418081j
In situ NMR and XRD studies of the growth mechanism of SBA-1
C. C. Egger, M. W. Anderson, G. J. T. Tiddy and J. L. Casci,
Phys. Chem. Chem. Phys., 2005, 7, 1845
DOI: 10.1039/b419293c
CATALYSIS
Towards an understanding of the oxidation state of cobalt and manganese ions in framework substituted microporous aluminophosphate redox catalysts: An electron paramagnetic resonance and X-ray absorption spectroscopy investigation
Andrew M. Beale, Gopinathan Sankar, C. Richard A. Catlow, Paul A. Anderson and Terry L. Green,
Phys. Chem. Chem. Phys., 2005, 7, 1856
DOI: 10.1039/b415570j
2,6-Dimethylpyridine as a probe of the strength of Brønsted acid sites: study on zeolites. Application to alumina
Laetitia Oliviero, Alexandre Vimont, Jean-Claude Lavalley, Francisca Romero Sarria, Marina Gaillard and Françoise Maugé,
Phys. Chem. Chem. Phys., 2005, 7, 1861
DOI: 10.1039/b500689a
Back matter
Phys. Chem. Chem. Phys., 2005, 7, 1870
DOI: 10.1039/b504110b
Back cover
Phys. Chem. Chem. Phys., 2005, 7, 1871
DOI: 10.1039/b504111m
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