Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Front cover 10.1039/c1cp90124a AuthorAnonymous 2011 13 33 14801 14801 Abstract HTML PDF other

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Contents list 10.1039/c1cp90128a AuthorAnonymous 2011 13 33 14803 14822 Abstract HTML PDF other

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Size and shape of Au nanoparticles formed in ionic liquids by electron beam irradiation 10.1039/c1cp20643e Imanishi Akihito Gonsui Shinobu Tsuda Tetsuya Kuwabata Susumu Fukui Ken-ichi 2011 13 33 14823 14830 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Preparation of polymer-supported gold nanoparticles based on resins containing ionic liquid-like fragments: easy control of size and stability 10.1039/c1cp20970a Burguete M. Isabel García-Verdugo Eduardo Luis Santiago V. Restrepo Julián A. 2011 13 33 14831 14838 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry A study of the ethene-ozone reaction with photoelectron spectroscopy: measurement of product branching ratios and atmospheric implications 10.1039/c0cp03004j Copeland Grant Ghosh Mariana V. Shallcross Dudley E. Percival Carl J. Dyke John M. 2011 13 33 14839 14847 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry [ML_<i>n</i>]²⁺ doubly charged systems: modeling, bonding, life times and unimolecular reactivity 10.1039/c1cp20622b Corral Inés Yáñez Manuel 2011 13 33 14848 14864 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Aromaticity in all-metal annular systems: the counter-ion effect 10.1039/c1cp21430f Chakraborty Arindam Giri Santanab Duley Soma Anoop Anakuthil Bultinck Patrick Chattaraj Pratim K. 2011 13 33 14865 14878 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Excitons in semiconducting carbon nanotubes: diameter-dependent photoluminescence spectra 10.1039/c1cp21235d Kanemitsu Yoshihiko 2011 13 33 14879 14888 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Acid properties of solid acid catalysts characterized by solid-state ³¹P NMR of adsorbed phosphorous probe molecules 10.1039/c1cp20417c Zheng Anmin Huang Shing-Jong Liu Shang-Bin Deng Feng 2011 13 33 14889 14901 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Extraction of the surface trap level from photoluminescence: a case study of ZnO nanostructures 10.1039/c1cp21527b He Haiping Wang Yanjie Wang Jingrui Ye Zhizhen 2011 13 33 14902 14905 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Improving the gas–solids contact efficiency in a fluidized bed of CO₂ adsorbent fine particles 10.1039/c1cp21939a Valverde J. M. Pontiga F. Soria-Hoyo C. Quintanilla M. A. S. Moreno H. Duran F. J. Espin M. J. 2011 13 33 14906 14909 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry μ-XAFS of a single particle of a practical NiO_<i>x</i>/Ce₂Zr₂O_<i>y</i> catalyst 10.1039/c1cp20895k Tada Mizuki Ishiguro Nozomu Uruga Tomoya Tanida Hajime Terada Yasuko Nagamatsu Shin-ichi Iwasawa Yasuhiro Ohkoshi Shin-ichi 2011 13 33 14910 14913 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Diffusional effects on the reversible excited-state proton transfer. From experiments to Brownian dynamics simulations 10.1039/c1cp20952c Popov Alexander V. Gould Elizabeth-Ann Salvitti Michael A. Hernandez Rigoberto Solntsev Kyril M. 2011 13 33 14914 14927 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Self-doping of molecular quantum-dot cellular automata: mixed valence zwitterions 10.1039/c1cp21332f Lu Yuhui Lent Craig 2011 13 33 14928 14936 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Ce-doped ZnO (Ce_<i>x</i>Zn_1−<i>x</i>O) becomes an efficient visible-light-sensitive photocatalyst by co-catalyst (Cu²⁺) grafting 10.1039/c1cp21514k Anandan Srinivasan Miyauchi Masahiro 2011 13 33 14937 14945 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Enhancement of hematoporphyrin IX potential for photodynamic therapy by entrapment in silica nanospheres 10.1039/c1cp21525f Silva Paulo R. Vono Lucas L. R. Espósito Breno P. Baptista Maurício S. Rossi Liane M. 2011 13 33 14946 14952 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Ionic liquids and oligomer electrolytes based on the B(CN)₄⁻ anion; ion association, physical and electrochemical properties 10.1039/c1cp21062a Scheers Johan Pitawala Jagath Thebault Frederic Kim Jae-Kwang Ahn Jou-Hyeon Matic Aleksandar Johansson Patrik Jacobsson Per 2011 13 33 14953 14959 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Photo-deactivation pathways of a double H-bonded photochromic Schiff base investigated by combined theoretical calculations and experimental time-resolved studies 10.1039/c1cp21039d Randino Carlos Ziółek Marcin Gelabert Ricard Organero Juan Angel Gil Michal Moreno Miquel Lluch José M. Douhal Abderrazzak 2011 13 33 14960 14972 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry A theoretical study of pure and mixed caesium clusters and cluster ions, Cs_<i>l</i>H_<i>m</i>O0/+<i>n</i>, <i>l</i>≤ 5: geometry, energetics and photofragmentation 10.1039/c1cp21274e Krapf Sebastian Schill Maria Krötz Sebastian Koslowski Thorsten 2011 13 33 14973 14983 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Assessment of an effective quasirelativistic methodology designed to study astatine chemistry in aqueous solution 10.1039/c1cp20512a Champion Julie Seydou Mahamadou Sabatié-Gogova Andrea Renault Eric Montavon Gilles Galland Nicolas 2011 13 33 14984 14992 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry A layered structure at the surface of P3HT/PCBM blends 10.1039/c1cp20734b Schmerl Natalya Andersson Gunther 2011 13 33 14993 15002 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry A new approach to local hardness 10.1039/c1cp21213c Gál T. Geerlings P. Proft F. De Torrent-Sucarrat M. 2011 13 33 15003 15015 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Hierarchical micro/nano structures of carbon composites as anodes for microbial fuel cells 10.1039/c1cp21813a Zhao Yong Watanabe Kazuya Hashimoto Kazuhito 2011 13 33 15016 15021 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Questioning the photophysical model for the indole chromophore in the light of evidence obtained by controlling the non-specific effect of the medium with 1-chlorobutane as solvent 10.1039/c1cp21380f Catalán Javier Catalán Juan Pablo 2011 13 33 15022 15030 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Confined crystallization of binary <i>n</i>-alkane mixtures: stabilization of a new rotator phase by enhanced surface freezing and weakened intermolecular interactions 10.1039/c1cp21281h Fu Dongsheng Liu Yufeng Liu Guoming Su Yunlan Wang Dujin 2011 13 33 15031 15036 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Kinetics of the C–C bond beta scission reactions in alkyl radicals 10.1039/c1cp21229j Ratkiewicz Artur 2011 13 33 15037 15046 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Effects of cross-links, pressure and temperature on the thermal properties and glass transition behaviour of polybutadiene 10.1039/c1cp20785g Tonpheng Bounphanh Yu Junchun Andersson Ove 2011 13 33 15047 15054 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Modeling van der Waals interactions between proteins and inorganic surfaces from time-dependent density functional theory calculations 10.1039/c1cp20719a Oliveira Micael J. T. Botti Silvana Marques Miguel A. L. 2011 13 33 15055 15061 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Hydroxide oxidation and peroxide formation at embedded binuclear transition metal sites; TM = Cr, Mn, Fe, Co 10.1039/c1cp20487d Busch M. Ahlberg E. Panas I. 2011 13 33 15062 15068 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Electrocatalytic oxygen evolution from water on a Mn(iii–v) dimer model catalyst—A DFT perspective 10.1039/c0cp02132f Busch M. Ahlberg E. Panas I. 2011 13 33 15069 15076 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry A tunable single-component warm white-light Sr₃Y(PO₄)₃:Eu²⁺,Mn²⁺ phosphor for white-light emitting diodes 10.1039/c1cp20635d Guo Ning Huang Yeju Yang Mei Song Yanhua Zheng Yuhua You Hongpeng 2011 13 33 15077 15082 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Depolarization of water in protic ionic liquids 10.1039/c1cp20288j Zahn Stefan Wendler Katharina Site Luigi Delle Kirchner Barbara 2011 13 33 15083 15093 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Structural characterization and DFT study of V^IVO(acac)₂ in imidazolium ionic liquids 10.1039/c1cp20800d Mota Andreia Hallett Jason P. Kuznetsov Maxim L. Correia Isabel 2011 13 33 15094 15102 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Molecular dynamics studies of native and substituted cyclodextrins in different media: 1. Charge derivation and force field performances 10.1039/c1cp20854c Cézard Christine Trivelli Xavier Aubry Frédéric Djedaïni-Pilard Florence Dupradeau François-Yves 2011 13 33 15103 15121 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Effect of surface chemical composition on the work function of silicon substrates modified by binary self-assembled monolayers 10.1039/c1cp20590k Kuo Che-Hung Liu Chi-Ping Lee Szu-Hsian Chang Hsun-Yun Lin Wei-Chun You Yun-Wen Liao Hua-Yang Shyue Jing-Jong 2011 13 33 15122 15126 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Towards understanding the effects of carbon and nitrogen-doped carbon coating on the electrochemical performance of Li₄Ti₅O₁₂ in lithium ion batteries: a combined experimental and theoretical study 10.1039/c1cp21513b Ding Zijing Zhao Liang Suo Liumin Jiao Yang Meng Sheng Hu Yong-Sheng Wang Zhaoxiang Chen Liquan 2011 13 33 15127 15133 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Double layer capacitance of anode/solid-electrolyte interfaces 10.1039/c1cp20508k Ge Xiaoming Fu Changjing Chan Siew Hwa 2011 13 33 15134 15142 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Towards the computational modelling of polyoxoanions on metal surfaces: IR spectrum characterisation of [SiW₁₂O₄₀]⁴⁻ on Ag(111) 10.1039/c0cp02602f Aparicio-Anglès Xavier Clotet Anna Bo Carles Poblet Josep M. 2011 13 33 15143 15147 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Interactions of the N3 dye with the iodide redox shuttle: quantum chemical mechanistic studies of the dye regeneration in the dye-sensitized solar cell 10.1039/c1cp21168d Asaduzzaman Abu Md Schreckenbach Georg 2011 13 33 15148 15157 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Molecular electrostatic potential for exploring π-conjugation: a density-functional investigation 10.1039/c1cp20071b Pingale Subhash S. 2011 13 33 15158 15165 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry The protein folding transition-state ensemble from a Gō-like model 10.1039/c1cp20964g Naganathan Athi N. Orozco Modesto 2011 13 33 15166 15174 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Polarization induced water molecule dissociation below the first-order electronic-phase transition temperature 10.1039/c1cp20138g Arulsamy Andrew Das Kregar Zlatko Eleršič Kristina Modic Martina Subramani Uma Shankar 2011 13 33 15175 15181 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Intramolecular charge transfer and dual fluorescence of 4-(dimethylamino)benzonitrile: ultrafast branching followed by a two-fold decay mechanism 10.1039/c1cp21089k Coto Pedro B. Serrano-Andrés Luis Gustavsson Thomas Fujiwara Takashige Lim Edward C. 2011 13 33 15182 15188 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Testing variations of the GW approximation on strongly correlated transition metal oxides: hematite (<i>α</i>-Fe₂O₃) as a benchmark 10.1039/c1cp20829b Liao Peilin Carter Emily A. 2011 13 33 15189 15199 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Structural, morphological, and kinetic studies of β-amyloid peptide aggregation on self-assembled monolayers 10.1039/c1cp21156k Wang Qiuming Shah Nilam Zhao Jun Wang Chengshan Zhao Chao Liu Lingyun Li Zhou Feimeng Zheng Jie 2011 13 33 15200 15210 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry A theoretical study on structural, spectroscopic and energetic properties of acetamide clusters [CH₃CONH₂] (<i>n</i> = 1–15) 10.1039/c1cp21346f Mahadevi A. Subha Neela Y. Indra Sastry G. Narahari 2011 13 33 15211 15220 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry MnO₂/TiN heterogeneous nanostructure design for electrochemical energy storage 10.1039/c1cp21815h Sherrill Stefanie A. Duay Jonathon Gui Zhe Banerjee Parag Rubloff Gary W. Lee Sang Bok 2011 13 33 15221 15226 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Light-induced isomerization dynamics of a cyanine dye in the modulus-controlled regime 10.1039/c1cp20835g Jee Ah-Young Park Seohyun Lee Minyung 2011 13 33 15227 15232 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Oxygen-containing gas-phase diatomic trications and tetracations: ReO^<i>z</i>+, NbO^<i>z</i>+ and HfO^<i>z</i>+ (<i>z</i> = 3, 4) 10.1039/c1cp21566c Brites V. Franzreb K. Harvey J. N. Sayres S. G. Ross M. W. Blumling D. E. Castleman  A. W. Hochlaf M. 2011 13 33 15233 15243 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry X-ray photoelectron spectroscopy of pyrrolidinium-based ionic liquids: cation–anion interactions and a comparison to imidazolium-based analogues 10.1039/c1cp21053j Men Shuang Lovelock Kevin R. J. Licence Peter 2011 13 33 15244 15255 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Thermodynamic and kinetic properties of hydrogen defect pairs in SrTiO₃ from density functional theory 10.1039/c1cp20406h Bork Nicolai Bonanos Nikolaos Rossmeisl Jan Vegge Tejs 2011 13 33 15256 15263 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Understanding microsolvation of Li⁺: structural and energetical analyses 10.1039/c1cp20903e Romero Jonathan Reyes Andres David Jorge Restrepo Albeiro 2011 13 33 15264 15271 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry An abiotic analogue of the diiron(iv)oxo “diamond core” of soluble methane monooxygenase generated by direct activation of O₂ in aqueous Fe(ii)/EDTA solutions: thermodynamics and electronic structure 10.1039/c1cp21244c Bernasconi Leonardo Belanzoni Paola Baerends Evert Jan 2011 13 33 15272 15282 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Experimental and theoretical study of the metastable decay of negatively charged nucleosides in the gas phase 10.1039/c1cp21298b Flosadóttir Helga Dögg Jónsson Hannes Sigurdsson Snorri Th. Ingólfsson Oddur 2011 13 33 15283 15290 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Monolayer properties of uronic acid bicatenary derivatives at the air–water interface: effect of hydroxyl group stereochemistry evidenced by experimental and computational approaches 10.1039/c1cp21365b Razafindralambo Hary Richel Aurore Wathelet Bernard Blecker Christophe Wathelet Jean-Paul Brasseur Robert Lins Laurence Miñones  Jose Paquot Michel 2011 13 33 15291 15298 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Excited-state N–H⋯S hydrogen bond between indole and dimethyl sulfide: time-dependent density functional theory study 10.1039/c1cp20729f Liu Yufang Yang Yonggang Jiang Kai Shi Deheng Sun Jinfeng 2011 13 33 15299 15304 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Defect processes in orthorhombic <i>Ln</i>BaCo₂O_5.5 double perovskites 10.1039/c1cp21471c Seymour I. D. Chroneos A. Kilner J. A. Grimes R. W. 2011 13 33 15305 15310 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry <i>Modus operandi</i> of controlled release from mesoporous matrices: a theoretical perspective 10.1039/c1cp20636b Ukmar Tina Gaberšček Miran Merzel Franci Godec Aljaž 2011 13 33 15311 15317 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Temperature dependent structured absorption spectra of molecular chlorine 10.1039/c1cp21337g Young I. A. K. Murray C. Blaum C. M. Cox R. A. Jones R. L. Pope F. D. 2011 13 33 15318 15325 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Steady-state photoinduced absorption of CdSe/CdS octapod shaped nanocrystals 10.1039/c1cp21402k Antognazza Maria Rosa Scotognella Francesco Miszta Karol Dorfs Dirk Zanella Marco Zavelani-Rossi Margherita Manna Liberato Lanzani Guglielmo Tassone Francesco 2011 13 33 15326 15330 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Back cover 10.1039/c1cp90127c AuthorAnonymous 2011 13 33 15331 15332 Abstract HTML PDF other