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Contents list for Physical Chemistry Chemical Physics, issue 26, 2009

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Front cover
Phys. Chem. Chem. Phys., 2009, 11, 5205
DOI: 10.1039/b911417n

front cover image for Physical Chemistry Chemical Physics, Issue 26, 2009


Contents and Chemical Technology
Phys. Chem. Chem. Phys., 2009, 11, 5207
DOI: 10.1039/b911418c

Perspectives

Theoretical evaluation of zeolite confinement effects on the reactivity of bulky intermediates
David Lesthaeghe, Veronique Van Speybroeck and Michel Waroquier,  Phys. Chem. Chem. Phys., 2009, 11, 5222
DOI: 10.1039/b902364j

Initiated and oxidative chemical vapor deposition: a scalable method for conformal and functional polymer films on real substrates
Salmaan H. Baxamusa, Sung Gap Im and Karen K. Gleason,  Phys. Chem. Chem. Phys., 2009, 11, 5227
DOI: 10.1039/b900455f

Communications

IM-19: a new flexible microporous gallium based-MOF framework with pressure- and temperature-dependent openings
Gérald Chaplais, Angélique Simon-Masseron, Florence Porcher, Claude Lecomte, Delphine Bazer-Bachi, Nicolas Bats and Joël Patarin,  Phys. Chem. Chem. Phys., 2009, 11, 5241
DOI: 10.1039/b822163d

Electronic charge transfer between ceria surfaces and gold adatoms: a GGA+U investigation
Norge C. Hernández, Ricardo Grau-Crespo, Nora H. de Leeuw and Javier Fdez. Sanz,  Phys. Chem. Chem. Phys., 2009, 11, 5246
DOI: 10.1039/b820373c

Papers

Alkali metals (Li, Na, and K) in methyl phosphodiester hydrolysis
Rahul V. Pinjari, Shreyas S. Kaptan and Shridhar P. Gejji,  Phys. Chem. Chem. Phys., 2009, 11, 5253
DOI: 10.1039/b812000e

Dimerisation of nitrile oxides: a quantum-chemical study
Tibor Pasinszki, Balázs Hajgató, Balázs Havasi and Nicholas P. C. Westwood,  Phys. Chem. Chem. Phys., 2009, 11, 5263
DOI: 10.1039/b823406j

Autocatalytic degradation of white phosphorus with silylenes
Wolfgang W. Schoeller,  Phys. Chem. Chem. Phys., 2009, 11, 5273
DOI: 10.1039/b818396a

Symmetry breaking in spin-restricted Hartree–Fock solutions: the case of the C2 molecule and the N2+ and F2+ cations
Xiangzhu Li and Josef Paldus,  Phys. Chem. Chem. Phys., 2009, 11, 5281
DOI: 10.1039/b900184k

Sequential or superexchange mechanism in bridged electron transfer distinguished by dynamics at a bridging molecule
Keisuke Saito, Tomoaki Kikuchi, Koichiro Mukai and Hitoshi Sumi,  Phys. Chem. Chem. Phys., 2009, 11, 5290
DOI: 10.1039/b822206a

UV resonance Raman spectroscopy of TTR(105–115): determination of the pKa of tyrosine
Galatia K. Pieridou and Sophia C. Hayes,  Phys. Chem. Chem. Phys., 2009, 11, 5302
DOI: 10.1039/b823363b

Assessment of the amide-I local modes in - and -turns of peptides
Jianping Wang,  Phys. Chem. Chem. Phys., 2009, 11, 5310
DOI: 10.1039/b900063a

Reactions in gas phase and condensed phase C6F5X (X = NCO, CH2CN) triggered by low energy electrons
Iwona Dbkowska, Helga Dögg Flosadóttir, Mario Orzol, Sylwia Ptasinska, Ilko Bald, Oddur Ingólfsson and Eugen Illenberger,  Phys. Chem. Chem. Phys., 2009, 11, 5323
DOI: 10.1039/b820670h

The gas-phase reaction between silylene and 2-butyne: kinetics, isotope studies, pressure dependence studies and quantum chemical calculations
Rosa Becerra, J. Pat Cannady, Guy Dormer and Robin Walsh,  Phys. Chem. Chem. Phys., 2009, 11, 5331
DOI: 10.1039/b823109e

Study of the CH3H2O radical complex stabilized in helium nanodroplets
Svemir Rudi, Jeremy M. Merritt and Roger E. Miller,  Phys. Chem. Chem. Phys., 2009, 11, 5345
DOI: 10.1039/b817484a

Excited-state lifetime of propadienylidene, l-C3H2
Bastian Noller, Markus Margraf, Christian Schröter, Thomas Schultz and Ingo Fischer,  Phys. Chem. Chem. Phys., 2009, 11, 5353
DOI: 10.1039/b901765h

Effective temperature representation of quantum delocalization effects on the dynamics of NO(A2+X2+) photoexcitation in Ne matrices
Ll. Uranga-Piña, A. Martínez-Mesa, L. García-Reyes and J. Rubayo-Soneira,  Phys. Chem. Chem. Phys., 2009, 11, 5358
DOI: 10.1039/b819355j

Stacked-structure-dependent photoelectrochemical properties of CdS nanoparticle/layered double hydroxide (LDH) nanosheet multilayer films prepared by layer-by-layer accumulation
Tatsuya Kameyama, Ken-ichi Okazaki, Katsuhiko Takagi and Tsukasa Torimoto,  Phys. Chem. Chem. Phys., 2009, 11, 5369
DOI: 10.1039/b902023c

Caging and solvent effects on the tautomeric equilibrium of 3-pyridone/3-hydroxypyridine in the ground state: a study in cyclodextrins and binary solvents
Osama K. Abou-Zied and Othman I. K. Al-Shihi,  Phys. Chem. Chem. Phys., 2009, 11, 5377
DOI: 10.1039/b823405a

The photoionisation of two phenylcarbenes and their diazirine precursors investigated using synchrotron radiation
Bastian Noller, Patrick Hemberger, Ingo Fischer, Christian Alcaraz, Gustavo A. Garcia and Héloïse Soldi-Lose,  Phys. Chem. Chem. Phys., 2009, 11, 5384
DOI: 10.1039/b823269e

Photolysis in aqueous aerosols: 300 nm yields of Fe2+ from a ferrioxalate actinometer and of OH radical from nitrate ions
David L. Bones and Leon F. Phillips,  Phys. Chem. Chem. Phys., 2009, 11, 5392
DOI: 10.1039/b903329g

Tuned lifetime, at the ensemble and single molecule level, of a xanthenic fluorescent dye by means of a buffer-mediated excited-state proton exchange reaction
Jose M. Paredes, Luis Crovetto, Ramon Rios, Angel Orte, Jose M. Alvarez-Pez and Eva M. Talavera,  Phys. Chem. Chem. Phys., 2009, 11, 5400
DOI: 10.1039/b820742a

Photophysics of manisyl-substituted 2-pyridin-2-yl-1,10-phenanthrolines. Dual emission dependent on structure and solvent
Jeremy K. Klosterman, Kim K. Baldridge and Jay S. Siegel,  Phys. Chem. Chem. Phys., 2009, 11, 5408
DOI: 10.1039/b818533f

Surface reconstruction of Pt nanocrystals interacting with gas atmosphere. Bridging the pressure gap with in situ diffraction
Piotr Rzeszotarski and Zbigniew Kaszkur,  Phys. Chem. Chem. Phys., 2009, 11, 5416
DOI: 10.1039/b820510h

Electrochemical reactions at a porphyrin–copper interface
Nguyen T. M. Hai, Shuhei Furukawa, Tom Vosch, Steven De Feyter, Peter Broekmann and Klaus Wandelt,  Phys. Chem. Chem. Phys., 2009, 11, 5422
DOI: 10.1039/b807075j

An embedded cluster study of the formation of water on interstellar dust grains
T. P. M. Goumans, C. Richard A. Catlow, Wendy A. Brown, Johannes Kästner and Paul Sherwood,  Phys. Chem. Chem. Phys., 2009, 11, 5431
DOI: 10.1039/b816905e

Time-resolved spectroscopy of dye-labeled photoactive yellow protein suggests a pathway of light-induced structural changes in the N-terminal cap
Daniel Hoersch, Harald Otto, Michael A. Cusanovich and Maarten P. Heyn,  Phys. Chem. Chem. Phys., 2009, 11, 5437
DOI: 10.1039/b821345c

Formation of gold and gold sulfide nanoparticles and mesoscale intermediate structures in the reactions of aqueous HAuCl4 with sulfide and citrate ions
Yuri Mikhlin, Maxim Likhatski, Anton Karacharov, Vladimir Zaikovski and Alexander Krylov,  Phys. Chem. Chem. Phys., 2009, 11, 5445
DOI: 10.1039/b823539b

Morphology and optical responses of SERS active -conjugated poly(N-ethyl-2-ethynylpyridinium iodide)/Ag nanocomposite systems
Ondej Dammer, Blanka Vlková, Marek Procházka, Jan Sedláek, Jií Vohlídal and Jií Pfleger,  Phys. Chem. Chem. Phys., 2009, 11, 5455
DOI: 10.1039/b817253f

Solubilization of flurbiprofen within non-ionic Tween 20 surfactant micelles: a 19F and 1H NMR study
Pieter Saveyn, Ellen Cocquyt, Wuxin Zhu, Davy Sinnaeve, Katrien Haustraete, José C. Martins and Paul Van der Meeren,  Phys. Chem. Chem. Phys., 2009, 11, 5462
DOI: 10.1039/b822327k

New insight into the nanostructure of ionic liquids: a small angle X-ray scattering (SAXS) study on liquid tri-alkyl-methyl-ammonium bis(trifluoromethanesulfonyl)amides and their mixtures
Tanja Pott and Philippe Méléard,  Phys. Chem. Chem. Phys., 2009, 11, 5469
DOI: 10.1039/b901582e

In situ XAS and IR studies on Cu:SAPO-5 and Cu:SAPO-11: the contributory role of monomeric linear copper(I) species in the selective catalytic reduction of NOx by propene
Karina Mathisen, Michael Stockenhuber and David G. Nicholson,  Phys. Chem. Chem. Phys., 2009, 11, 5476
DOI: 10.1039/b902491c

Non-perturbative magnetic phenomena in closed-shell paramagnetic molecules
Erik I. Tellgren, Trygve Helgaker and Alessandro Soncini,  Phys. Chem. Chem. Phys., 2009, 11, 5489
DOI: 10.1039/b822262b

Time-domain electrostatic force spectroscopy on nanostructured lithium-ion conducting glass ceramics: analysis and interpretation of relaxation times
Ahmet Taskiran, André Schirmeisen, Harald Fuchs, Hartmut Bracht and Bernhard Roling,  Phys. Chem. Chem. Phys., 2009, 11, 5499
DOI: 10.1039/b900175c

Defect interactions and ionic transport in scandia stabilized zirconia
R. Devanathan, S. Thevuthasan and J. D. Gale,  Phys. Chem. Chem. Phys., 2009, 11, 5506
DOI: 10.1039/b902764e

Crystal structure prediction for cyclotrimethylene trinitramine (RDX) from first principles
Rafal Podeszwa, Betsy M. Rice and Krzysztof Szalewicz,  Phys. Chem. Chem. Phys., 2009, 11, 5512
DOI: 10.1039/b902015b

Back cover
Phys. Chem. Chem. Phys., 2009, 11, 5519
DOI: 10.1039/b911419j