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Contents list for Physical Chemistry Chemical Physics, issue 29, 2009

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Front cover
Phys. Chem. Chem. Phys., 2009, 11, 6017
DOI: 10.1039/b913088h

front cover image for Physical Chemistry Chemical Physics, Issue 29, 2009


Inside front cover
Phys. Chem. Chem. Phys., 2009, 11, 6018
DOI: 10.1039/b913089f

Contents
Phys. Chem. Chem. Phys., 2009, 11, 6019
DOI: 10.1039/b913090j

Communications

Creation of interfacial phonons by carbon nanotube–polymer coupling
Ching-Chen Li, Chieh-Lien Lu, Yu-Tang Lin, Bee-Yu Wei and Wen-Kuang Hsu,  Phys. Chem. Chem. Phys., 2009, 11, 6034
DOI: 10.1039/b908166f

Evidence for a ball-shaped cyclen cyclophane: an experimental and first principles study
Jonathan P. Hill, Roberto Scipioni, Mauro Boero, Yutaka Wakayama, Misaho Akada, Tsuyoshi Miyazaki and Katsuhiko Ariga,  Phys. Chem. Chem. Phys., 2009, 11, 6038
DOI: 10.1039/b822802g

Papers

The 559-to-600 nm shift observed in red fluorescent protein eqFP611 is attributed to cistrans isomerization of the chromophore in an anionic protein pocket
Weizhong Yan, Daiqian Xie and Jun Zeng,  Phys. Chem. Chem. Phys., 2009, 11, 6042
DOI: 10.1039/b903544c

Different electronic structures and spectroscopic properties of cationic [M(ppy)2(NN)]+ (M = Rh, Ir; NN = Hcmbpy, H2dcbpy), a DFT study
Xiao-Na Li, Zhi-Jian Wu, Hong-Jie Zhang, Xiao-Juan Liu, Liang Zhou, Zhe-Feng Li and Zhen-Jun Si,  Phys. Chem. Chem. Phys., 2009, 11, 6051
DOI: 10.1039/b819014c

Electronic structure and circular dichroism spectroscopy of naphthalenediimide nanotubes
Benjamin M. Bulheller, G. Dan Panto, Jeremy K. M. Sanders and Jonathan D. Hirst,  Phys. Chem. Chem. Phys., 2009, 11, 6060
DOI: 10.1039/b905187b

Ligands bonded to metal ion or through-metal interacting ligands? Analysis of unusual bonds formation in the (BDTA)2[Co(mnt)2] material
Mikaël Kepenekian, Boris Le Guennic, Kunio Awaga and Vincent Robert,  Phys. Chem. Chem. Phys., 2009, 11, 6066
DOI: 10.1039/b902237f

Supramolecular interactions of fullerenes with (Cl)Fe- and Mn porphyrins. A theoretical study
Meng-Sheng Liao, John D. Watts and Ming-Ju Huang,  Phys. Chem. Chem. Phys., 2009, 11, 6072
DOI: 10.1039/b904782d

A modified electronegativity equalization method for fast and accurate calculation of atomic charges in large biological molecules
Yongzhong Ouyang, Fei Ye and Yizeng Liang,  Phys. Chem. Chem. Phys., 2009, 11, 6082
DOI: 10.1039/b821696g

The state of absorbed hydrogen in the structure of reduced copper chromite from the vibration spectra
Alexander A. Khassin, Galina N. Kustova, Hervé Jobic, Tamara M. Yurieva, Yury A. Chesalov, Georgii A. Filonenko, Lyudmila M. Plyasova and Valentin N. Parmon,  Phys. Chem. Chem. Phys., 2009, 11, 6090
DOI: 10.1039/b821381j

Isomer selective infrared spectroscopy of supersonically cooled cis- and trans-N-phenylamides in the region from the amide band to NH stretching vibration
Mitsuhiko Miyazaki, Jiro Saikawa, Hideki Ishizuki, Takunori Taira and Masaaki Fujii,  Phys. Chem. Chem. Phys., 2009, 11, 6098
DOI: 10.1039/b822310f

Robust normal modes in vibrational circular dichroism spectra
Valentin Paul Nicu and Evert Jan Baerends,  Phys. Chem. Chem. Phys., 2009, 11, 6107
DOI: 10.1039/b823558a

The role of lattice oxygen in the oxidative dehydrogenation of ethane on alumina-supported vanadium oxide
Arne Dinse, Reinhard Schomäcker and Alexis T. Bell,  Phys. Chem. Chem. Phys., 2009, 11, 6119
DOI: 10.1039/b821131k

The reduction of water clusters H+(H2O)n to (OH-)(H2O)m by double electron transfer from Cs atoms
Subhais Panja, Preben Hvelplund, Steen Brřndsted Nielsen and Einar Uggerud,  Phys. Chem. Chem. Phys., 2009, 11, 6125
DOI: 10.1039/b903517f

Calculation of the surface tension of cyclic and aromatic hydrocarbons from Monte Carlo simulations using an anisotropic united atom model (AUA)
F. Biscay, A. Ghoufi, V. Lachet and P. Malfreyt,  Phys. Chem. Chem. Phys., 2009, 11, 6132
DOI: 10.1039/b823295d

Electrochemical formation of Mg–Li–Ca alloys by codeposition of Mg, Li and Ca from LiCl–KCl–MgCl2–CaCl2 melts
Yong De Yan, Mi Lin Zhang, Yun Xue, Wei Han, Dian Xue Cao, Xiao Yan Jing, Li Yi He and Yi Yuan,  Phys. Chem. Chem. Phys., 2009, 11, 6148
DOI: 10.1039/b821609f

On progeny droplets emitted during Coulombic fission of charged microdrops
Harry C. Hunter and Asit K. Ray,  Phys. Chem. Chem. Phys., 2009, 11, 6156
DOI: 10.1039/b820457h

Layered hybrid organic–inorganic nanobelts exhibiting a field-induced magnetic transition
Minhua Cao, Igor Djerdj, Zvonko Jaglii, Markus Antonietti and Markus Niederberger,  Phys. Chem. Chem. Phys., 2009, 11, 6166
DOI: 10.1039/b820913h

Photolysis of CH3C(O)CH3 at 248 and 266 nm: pressure and temperature dependent overall quantum yields
V. G. Khamaganov, R. Karunanandan, A. Horowitz, T. J. Dillon and J. N. Crowley,  Phys. Chem. Chem. Phys., 2009, 11, 6173
DOI: 10.1039/b904130c

Study of the C(3P) + OH(X2) CO(a3) + H(2S) reaction: fully global ab initio potential energy surfaces of the 12A and 14A excited states and non adiabatic couplings
Alexandre Zanchet, Béatrice Bussery-Honvault, Mohamed Jorfi and Pascal Honvault,  Phys. Chem. Chem. Phys., 2009, 11, 6182
DOI: 10.1039/b903829a

The diatomic dication PO2+
Ágnes Révész, Bálint Sztáray, Detlef Schröder, Klaus Franzreb, Jií Fier, Stephen D. Price and Jana Roithová,  Phys. Chem. Chem. Phys., 2009, 11, 6192
DOI: 10.1039/b902843a

Tuning the surface potential of gold substrates arbitrarily with self-assembled monolayers with mixed functional groups
Wei-Chun Lin, Szu-Hsian Lee, Manuel Karakachian, Bang-Ying Yu, Ying-Yu Chen, Yu-Chin Lin, Che-Hung Kuo and Jing-Jong Shyue,  Phys. Chem. Chem. Phys., 2009, 11, 6199
DOI: 10.1039/b902044f

The use of heterogeneous chemistry for the characterization of functional groups at the gas/particle interface of soot and TiO2 nanoparticles
A. Setyan, J.-J. Sauvain and M. J. Rossi,  Phys. Chem. Chem. Phys., 2009, 11, 6205
DOI: 10.1039/b902509j

The positive influence of electrochemical cyclic potentiodynamic passivation (CPP) of a SS316LS surface on its response to fibronectin and pre-osteoblasts
Arash Shahryari, Fereshteh Azari, Hojatollah Vali and Sasha Omanovic,  Phys. Chem. Chem. Phys., 2009, 11, 6218
DOI: 10.1039/b902881a

DFT study of adsorption of hydrogen and carbon monoxide on PtxBi1-x/Pt(111) bimetallic overlayers: correlation to surface electronic properties
Igor Pati and Slavko Mentus,  Phys. Chem. Chem. Phys., 2009, 11, 6225
DOI: 10.1039/b823385c

Molecular configuration transitions of a nematic liquid crystal encapsulated in organically modified silicas
Erick Castellón, Marcos Zayat and David Levy,  Phys. Chem. Chem. Phys., 2009, 11, 6234
DOI: 10.1039/b903926k

Reversible photoisomerization of an azobenzene-functionalized self-assembled monolayer probed by sum-frequency generation vibrational spectroscopy
Steffen Wagner, Felix Leyssner, Christian Kördel, Sebastian Zarwell, Roland Schmidt, Martin Weinelt, Karola Rück-Braun, Martin Wolf and Petra Tegeder,  Phys. Chem. Chem. Phys., 2009, 11, 6242
DOI: 10.1039/b823330f

Structural evolution of Pt–Au nanoalloys during heating process: comparison of random and core-shell orderings
Zhen Yang, Xiaoning Yang, Zhijun Xu and Shuyan Liu,  Phys. Chem. Chem. Phys., 2009, 11, 6249
DOI: 10.1039/b821328c

Boron nitride nanotubes functionalized by a series of carbenes
Fenglei Cao, Wei Ren, Xianyan Xu, Yue-meng Ji and Cunyuan Zhao,  Phys. Chem. Chem. Phys., 2009, 11, 6256
DOI: 10.1039/b901512d

An inward replacement/etching route to synthesize double-walled Cu7S4 nanoboxes and their enhanced performances in ammonia gas sensing
Weixin Zhang, Zhangxian Chen and Zeheng Yang,  Phys. Chem. Chem. Phys., 2009, 11, 6263
DOI: 10.1039/b821452b

One-step synthesis of uniform silver nanoparticles capped by saturated decanoate: direct spray printing ink to form metallic silver films
Teng-Yuan Dong, Wei-Ting Chen, Ching-Wen Wang, Chiao-Pei Chen, Chen-Ni Chen, Ming-Cheng Lin, Jenn-Ming Song, In-Gann Chen and Tzu-Hsuan Kao,  Phys. Chem. Chem. Phys., 2009, 11, 6269
DOI: 10.1039/b900691e

Temperature and chemical environment effects on the aggregation extent of water soluble perylene dye into vinyl alcohol-containing polymers
Filippo Donati, Andrea Pucci and Giacomo Ruggeri,  Phys. Chem. Chem. Phys., 2009, 11, 6276
DOI: 10.1039/b903120k

In situ FTIR spectroelectrochemical characterization of n- and p-dopable phenyl-substituted polythiophenes
Teketel Yohannes, Sandro Lattante, Helmut Neugebauer, Niyazi Serdar Sariciftci and Mats Andersson,  Phys. Chem. Chem. Phys., 2009, 11, 6283
DOI: 10.1039/b905499p

Structural, photophysical and photocatalytic properties of new Bi2SbVO7 under visible light irradiation
Jingfei Luan, Bingcai Pan, Yaron Paz, Yongmei Li, Xiaoshan Wu and Zhigang Zou,  Phys. Chem. Chem. Phys., 2009, 11, 6289
DOI: 10.1039/b815260h

Incorporation and electron transfer of anthracene in pores of ZSM-5 zeolites. Effect of Brřnsted acid site density
Matthieu Hureau, Alain Moissette, Séverine Marquis, Claude Brémard and Hervé Vezin,  Phys. Chem. Chem. Phys., 2009, 11, 6299
DOI: 10.1039/b904010b

Host–guest chemistry of the (N,N-diarylacetamidine)rhodium(III) complex in zeolite Y
António M. Fonseca, Sara Gonçalves, Pier Parpot and Isabel C. Neves,  Phys. Chem. Chem. Phys., 2009, 11, 6308
DOI: 10.1039/b901762n

Back cover
Phys. Chem. Chem. Phys., 2009, 11, 6315
DOI: 10.1039/b913091h