Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Front cover 10.1039/c0cp90105a AuthorAnonymous 2010 12 41 13345 13345 Abstract HTML PDF other

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Inside front cover 10.1039/c0cp90106g AuthorAnonymous 2010 12 41 13346 13346 Abstract HTML PDF other

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Contents 10.1039/c0cp90107e AuthorAnonymous 2010 12 41 13347 13365 Abstract HTML PDF other

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Advances in mass spectrometry for biological science 10.1039/c0cp90100h Kim Seong Keun Ha Taekjip Schermann Jean-Pierre 2010 12 41 13366 13367 Abstract HTML PDF editorial

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Subunit exchange rates in Hepatitis B virus capsids are geometry- and temperature-dependent 10.1039/c0cp00692k Uetrecht Charlotte Watts Norman R. Stahl Stephen J. Wingfield Paul T. Steven Alasdair C. Heck Albert J. R. 2010 12 41 13368 13371 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Are the majority of <i>a</i>₂-ions cyclic? 10.1039/c0cp00514b Good David M. Marin-Vicente Consuelo Zubarev Roman A. 2010 12 41 13372 13374 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry ATP synthases: cellular nanomotors characterized by LILBID mass spectrometry 10.1039/c0cp00733a Hoffmann Jan Sokolova Lucie Preiss Laura Hicks David B. Krulwich Terry A. Morgner Nina Wittig Ilka Schägger Hermann Meier Thomas Brutschy Bernd 2010 12 41 13375 13382 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Cationized phenylalanine conformations characterized by IRMPD and computation for singly and doubly charged ions 10.1039/c0cp00784f Dunbar Robert C. Steill Jeffrey D. Oomens Jos 2010 12 41 13383 13393 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Probing the mechanisms of electron capture dissociation mass spectrometry with nitrated peptides 10.1039/c0cp00623h Jones Andrew W. Cooper Helen J. 2010 12 41 13394 13399 Abstract HTML PDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry The application of negative ion electrospray mass spectrometry for the sequencing of underivatized disulfide-containing proteins: insulin and lysozyme 10.1039/c0cp00717j Andreazza Hayley J. Bowie John H. 2010 12 41 13400 13407 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Zinc transfer from the embryo-specific metallothionein E_C from wheat: a case study 10.1039/c0cp00680g Leszczyszyn Oksana I. Blindauer Claudia A. 2010 12 41 13408 13418 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Guided ion beam and theoretical studies of sequential bond energies of water to sodium cysteine cation 10.1039/c0cp00302f Ye Sha Joshua Armentrout P. B. 2010 12 41 13419 13433 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Mass-spectrometric and computational study of tryptophan radicals (Trp + H)˙ produced by collisional electron transfer to protonated tryptophan in the gas phase 10.1039/c0cp00597e Gregersen Joshua A. Tureček František 2010 12 41 13434 13447 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Zwitterionic i-motif structures are preserved in DNA negatively charged ions produced by electrospray mass spectrometry 10.1039/c0cp00782j Rosu Frederic Gabelica Valérie Joly Laure Grégoire Gilles Pauw Edwin De 2010 12 41 13448 13454 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry IRMPD spectroscopy of protonated <i>S</i>-nitrosocaptopril, a biologically active, synthetic amino acid 10.1039/c0cp00671h Coletti Cecilia Re Nazzareno Scuderi Debora Maître Philippe Chiavarino Barbara Fornarini Simonetta Lanucara Francesco Sinha Rajeev K. Crestoni Maria Elisa 2010 12 41 13455 13467 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry RNA-induced conformational changes in a viral coat protein studied by hydrogen/deuterium exchange mass spectrometry 10.1039/c0cp00817f Morton Victoria L. Burkitt William O'Connor Gavin Stonehouse Nicola J. Stockley Peter G. Ashcroft Alison E. 2010 12 41 13468 13475 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Ion mobility–mass spectrometry of phosphorylase B ions generated with supercharging reagents but in charge-reducing buffer 10.1039/c0cp01208d Hogan Christopher J. Loo Rachel R. Ogorzalek Loo Joseph A. Mora Juan Fernandez de la 2010 12 41 13476 13483 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Dyes for biological second harmonic generation imaging 10.1039/c003720f Reeve James E. Anderson Harry L. Clays Koen 2010 12 41 13484 13498 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Stabilizing metal nanoparticles for heterogeneous catalysis 10.1039/c0cp00729c Cao Anmin Lu Rongwen Veser Götz 2010 12 41 13499 13510 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Observation of a large negative temperature dependence for rate coefficients of reactions of OH with oxygenated volatile organic compounds studied at 86–112 K 10.1039/c0cp00918k Shannon Robin J. Taylor Sally Goddard Andrew Blitz Mark A. Heard Dwayne E. 2010 12 41 13511 13514 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Multiple mode coupling in Cy3 molecules by impulsive coherent vibrational spectroscopy using a few-cycle laser pulse 10.1039/c0cp00567c Teramoto Takahiro Kobayashi Takayoshi 2010 12 41 13515 13518 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Probing interfacial solvation of incipient self-assembled monolayers 10.1039/c0cp01423k Calvente Juan José Andreu Rafael 2010 12 41 13519 13521 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Growth dynamics and kinetics of monolayer and multilayer graphene on a 6H-SiC(0001) substrate 10.1039/b927452a Poon Siew Wai Chen Wei Wee Andrew T. S. Tok Eng Soon 2010 12 41 13522 13533 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry The role of the extra-framework cations in the adsorption of CO₂ on faujasite Y 10.1039/b927476f Pirngruber G. D. Raybaud P. Belmabkhout Y. Čejka Jiří Zukal Arnošt 2010 12 41 13534 13546 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Integrated experimental and computational spectroscopy study on π-stacking interaction: the anisole dimer 10.1039/c002992k Schiccheri Nicola Pasquini Massimiliano Piani Giovanni Pietraperzia Giangaetano Becucci Maurizio Biczysko Malgorzata Bloino Julien Barone Vincenzo 2010 12 41 13547 13554 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Quantum-chemical study and FTIR jet spectroscopy of CHCl₃–NH₃ association in the gas phase 10.1039/c0cp00530d Hippler Michael Hesse Susanne Suhm Martin A. 2010 12 41 13555 13565 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Ion-size effect within the aqueous solution interface at the Pt(111) surface: molecular dynamics studies 10.1039/c004435k Godec Aljaž Gaberšček Miran Jamnik Janko Janežič Dušanka Merzel Franci 2010 12 41 13566 13573 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Characterization of liposomes formed by lipopolysaccharides from <i>Burkholderia cenocepacia</i>, <i>Burkholderia multivorans</i> and <i>Agrobacterium tumefaciens</i>: from the molecular structure to the aggregate architecture 10.1039/c0cp00066c D'Errico Gerardino Silipo Alba Mangiapia Gaetano Vitiello Giuseppe Radulescu Aurel Molinaro Antonio Lanzetta Rosa Paduano Luigi 2010 12 41 13574 13585 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry New basis sets for the evaluation of interaction energies: an <i>ab initio</i> study of the He–He, Ne–Ne, Ar–Ar, He–Ne, He–Ar and Ne–Ar van der Waals complex internuclear potentials and ro-vibrational spectra 10.1039/c0cp00535e Baranowska Angelika Capelo Silvia Bouzón Fernández Berta 2010 12 41 13586 13596 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry New virial equation of state for hard-disk fluids 10.1039/c0cp00476f Tian Jianxiang Gui Yuanxing Mulero A. 2010 12 41 13597 13602 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Is β-homo-proline a pseudo-γ-turn forming element of β-peptides? An IR and VCD spectroscopic study on Ac-β-HPro-NHMe in cryogenic matrices and solutions 10.1039/c0cp00145g Góbi Sándor Knapp Krisztina Vass Elemér Majer Zsuzsanna Magyarfalvi Gábor Hollósi Miklós Tarczay György 2010 12 41 13603 13615 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Study of the valence state and electronic structure in Sr₂Fe<i>M</i>O₆ (<i>M</i> = W, Mo, Re and Sb) double perovskites 10.1039/c004370b Retuerto M. Jiménez-Villacorta F. Martínez-Lope M. J. Huttel Y. Roman E. Fernández-Díaz M. T. Alonso J. A. 2010 12 41 13616 13625 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Quantum mechanical mechanisms of inelastic and reactive H + D₂(<i>v</i> = 0, <i>j</i> = 2) collisions 10.1039/c0cp00596g Aldegunde Jesús Jambrina P. G. Sáez-Rábanos Vicente Miranda Marcelo P. de Aoiz F. J. 2010 12 41 13626 13636 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Pentaatomic planar tetracoordinate carbon molecules [XCAl₃]^<i>q</i> [(X,<i>q</i>) = (B,−2), (C,−1), (N,0)] with C–X multiple bonding 10.1039/c0cp00296h Cui Zhong-hua Shao Chang-bin Gao Si-meng Ding Yi-hong 2010 12 41 13637 13645 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Experimental cross-sections energy dependence and an <i>ab initio</i> electronic structure survey of the ground singlet potential surface for reactive Li⁺ + <i>n</i>-C₃H₇Cl collisions at low energies 10.1039/c0cp00715c Lucas José María Andrés Jaime de Albertí Margarita Bofill Josep Maria Bassi Davide Aguilar Antonio 2010 12 41 13646 13656 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Structural changes in the water tetramer. A combined Monte Carlo and DFT study 10.1039/c0cp00217h Vítek Aleš Kalus René Paidarová Ivana 2010 12 41 13657 13666 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Spin crossover in an elastic chain of exchange clusters beyond mean field approximation 10.1039/c004287k Morozov Vitaly Lukzen Nikita Ovcharenko Victor 2010 12 41 13667 13673 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Orientation-selective unzipping of carbon nanotubes 10.1039/c002719g Zhang Hongyu Zhao Mingwen He Tao Zhang Xuejuan Wang Zhenhai Xi Zexiao Yan Shishen Liu Xiangdong Xia Yueyuan Mei Liangmo 2010 12 41 13674 13680 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Theoretical investigation of the conformation, acidity, basicity and hydrogen bonding ability of halogenated ethers 10.1039/c0cp00192a Zierkiewicz Wiktor Michalska Danuta Zeegers-Huyskens Thérèse 2010 12 41 13681 13691 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Femtosecond nonlinear absorption of gold nanoshells at surface plasmon resonance 10.1039/c0cp00783h Ros Ida Schiavuta Piero Bello Valentina Mattei Giovanni Bozio Renato 2010 12 41 13692 13698 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Hydrogen saturation stabilizes vacancy-induced ferromagnetic ordering in graphene 10.1039/c003524f Li Weifeng Zhao Mingwen Zhao Xian Xia Yueyuan Mu Yuguang 2010 12 41 13699 13706 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry The interaction of NO_<i>x</i> on Ni(111) surface investigated with quantum-chemical calculations 10.1039/c004291a Wu Shiuan-Yau Ho Jia-Jen 2010 12 41 13707 13714 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Primary photodynamics of a biomimetic model of photoactive yellow protein (PYP) 10.1039/c0cp00618a Changenet-Barret Pascale Loukou Christina Ley Christian Lacombat Fabien Plaza Pascal Mallet Jean-Maurice Martin Monique M. 2010 12 41 13715 13723 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry The unusual surface chemistry of α-Al₂O₃ (0001) 10.1039/c001222j Yang Die Krasowska Marta Sedev Rossen Ralston John 2010 12 41 13724 13729 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Modulation of iridium(iii) phosphorescence <i>via</i> photochromic ligands: a density functional theory study 10.1039/c0cp00564a Li Xin Zhang Qiong Tu Yaoquan Ågren Hans Tian He 2010 12 41 13730 13736 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Thermal isomerization of spiropyran to merocyanine in aqueous media and its application to colorimetric temperature indication 10.1039/c0cp00140f Shiraishi Yasuhiro Itoh Masataka Hirai Takayuki 2010 12 41 13737 13745 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Theoretical investigations of the IR spectroscopy of Ni(C₂S₂H₂)₂. A case study of the P_VMWCI₂ algorithm including anharmonic effects 10.1039/c0cp00760a Bégué Didier Labéguerie Pierre Zhang-Negrerie Daisy Y. Avramopoulos Aggelos Serrano-Andrés Luis Papadopoulos Manthos G. 2010 12 41 13746 13751 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Gas–phase complexes of cyclic and linear polyethers with alkali cations 10.1039/c0cp00595a Hurtado Paola Hortal Ana R. Gámez Francisco Hamad Said Martínez-Haya Bruno 2010 12 41 13752 13758 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Broadband spectral modification from visible light to near-infrared radiation using Ce³⁺–Er³⁺ codoped yttrium aluminium garnet 10.1039/c0cp00204f Zhou Jiajia Teng Yu Liu Xiaofeng Ye Song Ma Zhijun Qiu Jianrong 2010 12 41 13759 13762 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry A SAXS study on nanostructure evolution in water free membranes containing ionic liquid: from dry membrane to saturation 10.1039/c0cp00966k Sekhon Satpal Singh Park Jin-Soo Choi Young-Woo 2010 12 41 13763 13769 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Contributions of surface and bulk heterogeneities to the NO oxidation activities of ceria–zirconia catalysts with composition Ce_0.76Zr_0.24O₂ prepared by different methods 10.1039/c0cp00540a Atribak Idriss Bueno-López Agustín García-García Avelina Azambre Bruno 2010 12 41 13770 13779 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry A simple physical model for the simultaneous rationalisation of melting points and heat capacities of ionic liquids 10.1039/c0cp00881h Zvereva Elena E. Katsyuba Sergey A. Dyson Paul J. 2010 12 41 13780 13787 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Trends in MH₂^<i>n</i>+ ion–quadrupole complexes (M = Li, Be, Na, Mg, K, Ca; <i>n</i> = 1, 2) using <i>ab initio</i> methods 10.1039/c0cp00498g Page Alister J. Wilson David J. D. Nagy-Felsobuki Ellak I. von 2010 12 41 13788 13797 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Charge transport and diffusion of ionic liquids in nanoporous silica membranes 10.1039/c004546b Iacob Ciprian Sangoro Joshua Rume Papadopoulos Periklis Schubert Tilman Naumov Sergej Valiullin Rustem Kärger Jörg Kremer Friedrich 2010 12 41 13798 13803 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Accuracy of the microsolvation–continuum approach in computing the p<i>K</i>_a and the free energies of formation of phosphate species in aqueous solution 10.1039/c0cp00175a Tang Emilia Tommaso Devis Di Leeuw Nora H. de 2010 12 41 13804 13815 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Orientation and mutual location of ions at the surface of ionic liquids 10.1039/c0cp00683a Lockett Vera Sedev Rossen Harmer Sarah Ralston John Horne Mike Rodopoulos Theo 2010 12 41 13816 13827 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Bipolar redox behaviour, field-effect mobility and transistor switching of the low-molecular azo glass AZOPD 10.1039/c0cp00643b Arlt Michael Scheffler Ayna Suske Irina Eschner Michael Saragi Tobat P. I. Salbeck Josef Fuhrmann-Lieker Thomas 2010 12 41 13828 13834 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Modeling of thermodiffusion in liquid metal alloys 10.1039/c0cp00781a Eslamian Morteza Sabzi Fatemeh Saghir M. Ziad 2010 12 41 13835 13848 Abstract HTMLPDF research-article

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Back matter 10.1039/c0cp90109a AuthorAnonymous 2010 12 41 13849 13850 Abstract HTML PDF other

Physical Chemistry Chemical Physics 1463-9076 Royal Society of Chemistry Back cover 10.1039/c0cp90108c AuthorAnonymous 2010 12 41 13851 13852 Abstract HTML PDF other