PCCP. Physical Chemistry Chemical Physics - An International Journal
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
Inhaltsverzeichnis
- 191
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Thermally-induced single-crystal-to-single-crystal transformations from a 2D two-fold interpenetrating square lattice layer to a 3D four-fold interpenetrating diamond framework and its application in dye-sensitized solar cellsElectronic supplementary information (ESI) available. CCDC 1041925 (1) and 1041924 (2). For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6cp02530gGao, Song et al. | 2016
- 192
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Core electron excitations in U4+: modelling of the nd105f2 → nd95f3 transitions with n = 3, 4 and 5 by ligand field tools and density functional theoryElectronic supplementary information (ESI) available: Graphical representation of the total electronic energy versus the lattice constant volume of bulk UO2 obtained at the LDA+U and GGA+U DFT levels of theory; radial functions of the 3d, 4d and 5d orbitals of U4+ in UO2 within the nd95f3 electron configurations; numerical data of the multiplet energy levels corresponding to the ground state 5f2 configuration of U4+ in UO2; studies of the broadening effect of the calculated oscillator strengths seen in Fig. 5-7; graphical representation of the influence of the three terms of the ligand field Hamiltonian (eqn (1)) on the results of the 5d105f2 (T2) → 5d95f3 transitions; numerical data for the multiplet energy levels of the nd95f3 configuration of U4+ in UO2, with n = 3, 4 and 5 given in Fig. 5, 6 and 7, respectively. See DOI: 10.1039/c6cp01395cRamanantoanina, Harry et al. | 2016
- 195
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Dynamics of internally functionalized dendrimersElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02406hGrimm, Jonas et al. | 2016
- 197
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Mechanism of Co-C photodissociation in adenosylcobalaminElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02136kGarabato, Brady D et al. | 2016
- 1867
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Autochthonous self-assembly of nature's nanomaterials: green, parsimonious and antibacterial carbon nanofilms on glassElectronic supplementary information (ESI) available: Fig. S1. Optical image of C@12 h coating prior to and following ultrasonication, indicating the stability of the coating; Fig. S2. FESEM image of (a) pristine glass substrate (b) C@1 h (c) C@1 day coatings; Fig. S3. FESEM showing the coating surface as a function of immersion time (a) 3 h (b) 6 h; Fig. S4. FESEM of coating after (a) 12 h (b) 1 day; Fig. S5. Fluorescence micrographs showing S. aureus attachment on (a) control and (b) 1 h (c) 3 h (d) 6 h (e) 12 h (f) 1 day (g) 3 days (h) 1 week carbon coated glass surfaces; Fig. S6. FESEM micrograph showing attachment of S. aureus on (a) glass (b) 12 h coated (c) 1 week carbon coated glass. See DOI: 10.1039/c6cp03478kGopal, Judy et al. | 2016
- 1875
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Enhanced fluorescence of [[5′-(4-hydroxyphenyl)[2,2′-bithiophen]-5-yl]methylene]-propanedinitrile (NIAD-4): solvation induced micro-viscosity enhancementElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp00881jHu, Jiangpu et al. | 2016
- 1875
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Electrochemical and in situ X-ray spectroscopic studies of MnO2/reduced graphene oxide nanocomposites as a supercapacitorElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp01192fChang, Han-Wei et al. | 2016
- 1888
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Magnetic response properties of gaudiene - a cavernous and aromatic carbocageIn memory of Sir Prof. Harold W. Kroto, for his insightful discoveries.Electronic supplementary information (ESI) available: π-Electron levels and shielding cone representation for 2 and 3. See DOI: 10.1039/c6cp03808eRauhalahti, M et al. | 2016
- 1895
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Interaction between ionic liquid cation and water: infrared predissociation study of [bmim]+·(H2O)n clustersElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02730jVoss, Jonathan M et al. | 2016
- 1911
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Unexpected effect of tetraglyme plasticizer on lithium ion dynamics in PAMPS based ionomersElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03689aOza, Yogita V et al. | 2016
- 1913
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MnO nanoparticles embedded in a carbon matrix as high performance lithium-ion battery anodes: preparation, microstructure and electrochemistryElectronic supplementary information (ESI) available: Supplementary figures. See DOI: 10.1039/c6cp01691jMa, Shaojun et al. | 2016
- 19103
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Dipole correlation effects on the local field and the effective dielectric constant in composite dielectrics containing high-k inclusionsAllahyarov, Elshad / Löwen, Hartmut / Zhu, Lei et al. | 2016
- 19207
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Sucrose diffusion in aqueous solutionPrice, Hannah C. / Mattsson, Johan / Murray, Benjamin J. et al. | 2016
- 1932
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A first-principles study of pressure-induced phase transformation in a rare-earth formate frameworkElectronic supplementary information (ESI) available: Preliminary calculation, DFT-D2 calculation, electronic density of states, input files for Quantum Espresso code, and optimized structures of phases I and II. See DOI: 10.1039/c6cp03028aBhat, Soumya S et al. | 2016
- 1935
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PCl3-C6H6 heterodimers: evidence for P π phosphorus bonding at low temperaturesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03825eRamanathan, N et al. | 2016
- 1937
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RIDME distance measurements using Gd(iii) tags with a narrow central transitionElectronic supplementary information (ESI) available: Measurements of TM and T1e, analysis of background decay and SNR; field and temperature dependence of the phase memory and longitudinal relaxation times for the Gd(iii)-DOTA ruler; analysis of the DEER and RIDME traces for the Gd(iii)-DOTA ruler; effect of experimental parameters on the RIDME traces for the Gd(iii)-DOTA ruler; field-swept echo-detected EPR spectrum of the C9-Gd(iii) tag; dipolar evolution traces for the DEER and RIDME experiments on the mutants of the ERp29 homodimer labeled with the C9-Gd(iii) tag; effect of the experimental parameters on the RIDME traces for the S114C mutant of the ERp29 homodimer labeled with the C9-Gd(iii) tag; mutant and concentration dependence of the phase memory and longitudinal relaxation times for the C9-Gd(iii)-labeled ERp29 samples. See DOI: 10.1039/c6cp03299kCollauto, A et al. | 2016
- 1939
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The butterfly - a well-defined constant-current topography pattern on Si(001):H and Ge(001):H resulting from current-induced defect fluctuationsElectronic supplementary information (ESI) available: (1) A figure depicting the change in the STM image as the N parameter is varied, (2) a short discussion on the sensitivity of the N parameter and (3) a series of STM topographies depicting the transition from a noisy to a smooth image as the voltage is increased. (4) A short discussion of the low-bias regime. See DOI: 10.1039/c6cp04031dEngelund, Mads et al. | 2016
- 1942
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The structure of liquid water beyond the first hydration shellElectronic supplementary information (ESI) available: A summary of the information theory approach as well as a complete set of the positional distribution functions. See DOI: 10.1039/c6cp00720aHenao, Andrés et al. | 2016
- 1944
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A self-protection phenomenon in the Nafion membrane when it breathes in methanol-saturated airElectronic supplementary information (ESI) available: DTG curves of different Nafion membranes. See DOI: 10.1039/c6cp03176eFeng, Kai et al. | 2016
- 1945
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How fast is optically induced electron transfer in organic mixed valence systems?Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03053jLambert, C et al. | 2016
- 1962
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Can nitro groups really anchor onto TiO2? Case study of dye-to-TiO2 adsorption using azo dyes with NO2 substituentsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02294dZhang, Lei et al. | 2016
- 1983
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pH and concentration dependence of the optical properties of thiol-capped CdTe nanocrystals in water and D2OElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03123dSchneider, R et al. | 2016
- 18617
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Front cover| 2016
- 18618
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Inside front cover| 2016
- 18619
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Contents list| 2016
- 18643
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A time to search: finding the meaning of variable activation energyVyazovkin, Sergey et al. | 2016
- 18657
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Unusual distance dependences of electron transfer ratesKuss-Petermann, Martin / Wenger, Oliver S. et al. | 2016
- 18665
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The design of Fe, N-doped hierarchically porous carbons as highly active and durable electrocatalysts for a Zn–air batteryWu, Mingjie / Tang, Qiaowei / Dong, Fang et al. | 2016
- 18670
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Autochthonous self-assembly of nature's nanomaterials: green, parsimonious and antibacterial carbon nanofilms on glassGopal, Judy / Muthu, Manikandan / Chun, Sechul et al. | 2016
- 18678
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Molecular design of light-harvesting photosensitizers: effect of varied linker conjugation on interfacial electron transferJiang, Jianbing / Swierk, John R. / Hedström, Svante et al. | 2016
- 18683
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Regioisomer-specific electron affinities and electronic structures of C70para-adducts at polar and equatorial positions with (bromo)benzyl radicals: photoelectron spectroscopy and theoretical studyElectronic supplementary information (ESI) available: Experimental and theoretical details; diagram of the correlations between the anion and neutral occupied molecular orbitals under Koopmans' theorem of single particle approximation; DFT optimized structures for (ArCH2)2C70 anions and neutrals; the calculated C2-C5 and C7-C23 distances in C70 and (ArCH2)2C70; the calculated EAs and HOMO-LUMO gaps using different basis sets; Cartesian coordinates of the optimized anions and neutrals. See DOI: 10.1039/c6cp03978bHou, Gao-Lei et al. | 2016
- 18683
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Regioisomer-specific electron affinities and electronic structures of C70para-adducts at polar and equatorial positions with (bromo)benzyl radicals: photoelectron spectroscopy and theoretical studyHou, Gao-Lei / Li, Lei-Jiao / Li, Shu-Hui et al. | 2016
- 18687
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Selective detection and complete identification of triglycerides in cortical bone by high-resolution 1H MAS NMR spectroscopyMroue, Kamal H. / Xu, Jiadi / Zhu, Peizhi et al. | 2016
- 18687
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Selective detection and complete identification of triglycerides in cortical bone by high-resolution 1H MAS NMR spectroscopyElectronic supplementary information (ESI) available: Sample preparation, NMR experimental details, and additional analyses. See DOI: 10.1039/c6cp03506jMroue, Kamal H et al. | 2016
- 18692
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CO chemisorption at vacancies of supported graphene films: a candidate for a sensor?Celasco, E. / Carraro, G. / Lusuan, A. et al. | 2016
- 18692
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CO chemisorption at vacancies of supported graphene films: a candidate for a sensor?Electronic supplementary information (ESI) available: Details of the experimental methods; assignment of the vibrational losses not related to CO in the spectra of Fig. 1B; additional note. See DOI: 10.1039/c6cp02999jCelasco, E et al. | 2016
- 18697
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Enhancement of encaged electron concentration by Sr2+ doping and improvement of Gd3+ emission through controlling encaged anions in conductive C12A7 phosphorsZhang, Meng / Liu, Yuxue / Zhu, Hancheng et al. | 2016
- 18705
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Electrochemical and in situ X-ray spectroscopic studies of MnO2/reduced graphene oxide nanocomposites as a supercapacitorChang, Han-Wei / Lu, Ying-Rui / Chen, Jeng-Lung et al. | 2016
- 18719
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Thickness-induced structural phase transformation of layered gallium tellurideZhao, Q. / Wang, T. / Miao, Y. et al. | 2016
- 18727
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Electronic structures of CuTPP and CuTPP(F) complexes. A combined experimental and theoretical study IMangione, Giulia / Carlotto, Silvia / Sambi, Mauro et al. | 2016
- 18739
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When a nanoparticle meets a superhalogen: a case study with C60 fullereneSikorska, Celina et al. | 2016
- 18739
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When a nanoparticle meets a superhalogen: a case study with C60 fullereneElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp00380jSikorska, Celina et al. | 2016
- 18750
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Enhanced fluorescence of [[5prime-(4-hydroxyphenyl)[2,2prime-bithiophen]-5-yl]methylene]-propanedinitrile (NIAD-4): solvation induced micro-viscosity enhancementHu, J. / Zhu, H. / Li, Y. et al. | 2016
- 18750
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Enhanced fluorescence of [[5′-(4-hydroxyphenyl)[2,2′-bithiophen]-5-yl]methylene]-propanedinitrile (NIAD-4): solvation induced micro-viscosity enhancementHu, Jiangpu / Zhu, Huaning / Li, Yang et al. | 2016
- 18758
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Regiospecific protonation of organic chromophoresElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02747dTang, Tao et al. | 2016
- 18758
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Regiospecific protonation of organic chromophoresTang, Tao / Lin, Tingting / Wang, FuKe et al. | 2016
- 18767
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Understanding the wettability of a hairy surface: effect of hair rigidity and topologyPei, Han-Wen / Liu, Hong / Zhu, You-Liang et al. | 2016
- 18767
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Understanding the wettability of a hairy surface: effect of hair rigidity and topologyElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02376bPei, Han-Wen et al. | 2016
- 18776
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Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulationsYang, Mingjun / Angles d’Ortoli, Thibault / Säwén, Elin et al. | 2016
- 18776
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Delineating the conformational flexibility of trisaccharides from NMR spectroscopy experiments and computer simulationsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02970aYang, Mingjun et al. | 2016
- 18795
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Intrusion–extrusion spring performance of –COK-14 zeolite enhanced by structural changesKirschhock, Christine E. A. / De Prins, Michiel / Verheijen, Elke et al. | 2016
- 18802
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High-valent iron (FeVI, FeV, and FeIV) species in water: characterization and oxidative transformation of estrogenic hormonesMachalová Šišková, Karolína / Jančula, Daniel / Drahoš, Bohuslav et al. | 2016
- 18811
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Optical response and gas sequestration properties of metal cluster supported graphene nanoflakesChakraborty, Debdutta / Chattaraj, Pratim Kumar et al. | 2016
- 18811
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Optical response and gas sequestration properties of metal cluster supported graphene nanoflakesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02134dChakraborty, Debdutta et al. | 2016
- 18828
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Thermometry and up-conversion luminescence of Yb3+–Er3+ co-doped Na2Ln2Ti3O10 (Ln = Gd, La) phosphorsZhang, Zhiyu / Guo, Chongfeng / Suo, Hao et al. | 2016
- 18835
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Huckel-Hubbard-Ohno modeling of p-bonds in ethene and ethyne with application to trans-polyacetyleneTimar, M. / Barcza, G. / Gebhard, F. et al. | 2016
- 18835
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Hückel–Hubbard–Ohno modeling of π-bonds in ethene and ethyne with application to trans-polyacetyleneTimár, Máté / Barcza, Gergely / Gebhard, Florian et al. | 2016
- 18846
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Enhanced CO gas sensing properties of Cu doped SnO2 nanostructures prepared by a facile wet chemical methodBhardwaj, Neha / Pandey, Akhilesh / Satpati, Biswarup et al. | 2016
- 18855
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Fullerenol C60(OH)16 prevents amyloid fibrillization of Ab40-in vitro and in silico approachBednarikova, Z. / Huy, P. / Mocanu, M. M. et al. | 2016
- 18855
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Fullerenol C60(OH)16 prevents amyloid fibrillization of Aβ40 – in vitro and in silico approachBednarikova, Zuzana / Huy, Pham Dinh Quoc / Mocanu, Maria-Magdalena et al. | 2016
- 18855
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Fullerenol C60(OH)16 prevents amyloid fibrillization of Aβ40 - in vitro and in silico approachElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp00901hBednarikova, Zuzana et al. | 2016
- 18868
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Bifurcate localization modes of excess electron in aqueous Ca2+ amide solution revealed by ab initio molecular dynamics simulation: towards hydrated electron versus hydrated amide anionElectronic supplementary information (ESI) available: The calculated energy levels and distributions of the lowest unoccupied molecular orbital (LUMO) of hydrated acetamide clusters and the structure of the hydrated electron; AIMD simulation trajectories and time evolution curves of some quantities (radius of gyration and volume of EEs, the distances between Ca2+, the amide O, and the center of the EE) and radial distribution functions for the localization dynamics of EEs in three aqueous acetamide/Ca2+ solutions with tight Ca2+ amide-O contact, weak solvent-mediated Ca2+ amide-O coupling and separated Ca2+/acetamide, forming hydrated electrons or hydrated amide anions, respectively. See DOI: 10.1039/c6cp03552cZhang, Ru et al. | 2016
- 18868
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Bifurcate localization modes of excess electron in aqueous Ca2+⋯amide solution revealed by ab initio molecular dynamics simulation: towards hydrated electron versus hydrated amide anionZhang, Ru / Bu, Yuxiang et al. | 2016
- 18880
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Magnetic response properties of gaudiene – a cavernous and aromatic carbocageRauhalahti, M. / Muñoz-Castro, A. / Sundholm, D. et al. | 2016
- 18887
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Time- and ensemble-averages in evolving systems: the case of Brownian particles in random potentialsBewerunge, Jörg / Ladadwa, Imad / Platten, Florian et al. | 2016
- 18896
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Role of ion-pair states in the predissociation dynamics of Rydberg states of molecular iodinevon Vangerow, J. / Bogomolov, A. S. / Dozmorov, N. V. et al. | 2016
- 18905
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Interaction between ionic liquid cation and water: infrared predissociation study of [bmim]+·(H2O)n clustersVoss, Jonathan M. / Marsh, Brett M. / Zhou, Jia et al. | 2016
- 18914
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Spin–orbit effects on the 119Sn magnetic-shielding tensor in solids: a ZORA/DFT investigationAlkan, Fahri / Holmes, Sean T. / Iuliucci, Robbie J. et al. | 2016
- 18914
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Spin-orbit effects on the 119Sn magnetic-shielding tensor in solids: a ZORA/DFT investigationElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03807gAlkan, Fahri et al. | 2016
- 18923
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Lipid extraction mediates aggregation of carbon nanospheres in pulmonary surfactant monolayersYue, Tongtao / Xu, Yan / Li, Shixin et al. | 2016
- 18934
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Glycerol inhibits the primary pathways and transforms the secondary pathway of insulin aggregationSaha, Shivnetra / Deep, Shashank et al. | 2016
- 18949
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Design and synthesis of hollow NiCo2O4 nanoboxes as anodes for lithium-ion and sodium-ion batteriesChen, Junfen / Ru, Qiang / Mo, Yudi et al. | 2016
- 18958
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Why are some cyano-based ionic liquids better glucose solvents than water?Batista, Marta L. S. / Passos, Helena / Henriques, Bruno J. M. et al. | 2016
- 18971
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H3P⋯AgI: generation by laser-ablation and characterization by rotational spectroscopy and ab initio calculationsStephens, Susanna L. / Tew, David P. / Walker, Nicholas R. et al. | 2016
- 18971
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H3P AgI: generation by laser-ablation and characterization by rotational spectroscopy and ab initio calculationsElectronic supplementary information (ESI) available: All underlying data are provided as electronic supplementary information accompanying this paper. See DOI: 10.1039/c6cp03512dStephens, Susanna L et al. | 2016
- 18978
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Substrate-induced structures of bismuth adsorption on graphene: a first principles studyLin, Shih-Yang / Chang, Shen-Lin / Chen, Hsin-Hsien et al. | 2016
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Decay behavior of screened electrostatic surface forces in ionic liquids: the vital role of non-local electrostaticsKjellander, Roland et al. | 2016
- 19001
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Thermally-induced single-crystal-to-single-crystal transformations from a 2D two-fold interpenetrating square lattice layer to a 3D four-fold interpenetrating diamond framework and its application in dye-sensitized solar cellsGao, Song / Fan, Rui Qing / Wang, Xin Ming et al. | 2016
- 19011
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Unexpected effect of tetraglyme plasticizer on lithium ion dynamics in PAMPS based ionomersOza, Yogita V. / MacFarlane, Douglas R. / Forsyth, Maria et al. | 2016
- 19020
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Core electron excitations in U4+: modelling of the nd105f2 → nd95f3 transitions with n = 3, 4 and 5 by ligand field tools and density functional theoryRamanantoanina, Harry / Kuri, Goutam / Daul, Claude et al. | 2016
- 19032
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A first-principles study of pressure-induced phase transformation in a rare-earth formate frameworkBhat, Soumya S. / Li, Wei / Cheetham, Anthony K. et al. | 2016
- 19037
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RIDME distance measurements using Gd(iii) tags with a narrow central transitionCollauto, A. / Frydman, V. / Lee, M. D. et al. | 2016
- 19050
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Dynamics of internally functionalized dendrimersGrimm, Jona / Dolgushev, Maxim et al. | 2016
- 19062
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Can nitro groups really anchor onto TiO2? Case study of dye-to-TiO2 adsorption using azo dyes with NO2 substituentsZhang, Lei / Cole, Jacqueline M. et al. | 2016
- 19070
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Mechanism of Co–C photodissociation in adenosylcobalaminGarabato, Brady D. / Lodowski, Piotr / Jaworska, Maria et al. | 2016
- 19083
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pH and concentration dependence of the optical properties of thiol-capped CdTe nanocrystals in water and D2OSchneider, R. / Weigert, F. / Lesnyak, V. et al. | 2016
- 19093
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The reaction current distribution in battery electrode materials revealed by XPS-based state-of-charge mappingPearse, Alexander J. / Gillette, Eleanor / Lee, Sang Bok et al. | 2016
- 19118
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Density functional theory with modified dispersion correction for metals applied to molecular adsorption on Pt(111)Andersson, M. P. et al. | 2016
- 19123
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Experimental and theoretical studies on the linear and nonlinear optical properties of lead phosphate crystals LiPbPO4Han, Guopeng / Liu, Qiong / Wang, Ying et al. | 2016
- 19130
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MnO nanoparticles embedded in a carbon matrix as high performance lithium-ion battery anodes: preparation, microstructure and electrochemistryMa, Shaojun / Chen, Dongming / Wang, Wen-lou et al. | 2016
- 19137
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Self-discharge of electrochemical capacitors based on soluble or grafted quinoneShul, Galyna / Bélanger, Daniel et al. | 2016
- 19146
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Structural changes of layered alkylsiloxanes during the reversible melting-solidification processElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02363kFujii, Kazuko et al. | 2016
- 19146
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Structural changes of layered alkylsiloxanes during the reversible melting–solidification processFujii, Kazuko / Hayashi, Shigenobu / Hashizume, Hideo et al. | 2016
- 19158
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Lattice thermal conductivity in layered BiCuSeOKumar, S. / Schwingenschlögl, U. et al. | 2016
- 19165
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Effects of induced optical tunable and ferromagnetic behaviors of Ba doped nanocrystalline LaB6Bao, Lihong / Qi, Xiaoping / Tana, et al. | 2016
- 19173
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Low-field thermal mixing in [1-13C] pyruvic acid for brute-force hyperpolarizationPeat, David T. / Hirsch, Matthew L. / Gadian, David G. et al. | 2016
- 19183
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Preparation and unique dielectric properties of nanoporous materials with well-controlled closed-nanoporesZhao, Cuijiao / Wei, Xiaonan / Huang, Yawen et al. | 2016
- 19194
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A full-dimensional model of ozone forming reaction: the absolute value of the recombination rate coefficient, its pressure and temperature dependenciesTeplukhin, Alexander / Babikov, Dmitri et al. | 2016
- 19217
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How does the B,F-monodoping and B/F-codoping affect the photocatalytic water-splitting performance of g-C3N4?Ding, Kaining / Wen, Lili / Huang, Mengyue et al. | 2016
- 19217
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How does the B,F-monodoping and B/F-codoping affect the photocatalytic water-splitting performance of g-C3N4?Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02169gDing, Kaining et al. | 2016
- 19227
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Microstructures of negative and positive azeotropesShephard, J. J. / Callear, S. K. / Imberti, S. et al. | 2016
- 19227
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Microstructures of negative and positive azeotropesElectronic supplementary information (ESI) available: Materials; neutron scattering experiments; Empirical Potential Structural Refinement; classification of local environments in the EPSR models; X-ray diffraction and differential scanning calorimetry upon cooling; calculation of Kirkwood-Buff integrals from thermodynamic data. See DOI: 10.1039/c6cp02450eShephard, J. J et al. | 2016
- 19236
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An accurate cost effective DFT approach to study the sensing behaviour of polypyrrole towards nitrate ions in gas and aqueous phasesWasim, Fatima / Mahmood, Tariq / Ayub, Khurshid et al. | 2016
- 19248
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Hydrogenation vs. H–D isotope scrambling during the conversion of ethylene with hydrogen/deuterium catalyzed by platinum under single-collision conditionsDong, Yujung / Ebrahimi, Maryam / Tillekaratne, Aashani et al. | 2016
- 19259
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Probing the spontaneous reduction mechanism of platinum ions confined in the nanospace by X-ray absorption fine structure spectroscopyJiang, Fangling / Li, Cheng / Fu, Haiying et al. | 2016
- 19267
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Alcohols as molecular probes in ionic liquids: evidence for nanostructurationVaz, Inês C. M. / Bhattacharjee, Arijit / Rocha, Marisa A. A. et al. | 2016
- 19276
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A guide to the selection of switchable functional groups for CO2-switchable compoundsAlshamrani, A. K. / Vanderveen, J. R. / Jessop, P. G. et al. | 2016
- 19289
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Space charge limited release of charged inverse micelles in non-polar liquidsPrasad, Manoj / Strubbe, Filip / Beunis, Filip et al. | 2016
- 19299
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Mesophase structure and behaviour in bulk and restricted geometry of a dimeric compound exhibiting a nematic–nematic transitionSebastián, N. / Tamba, M. G. / Stannarius, R. et al. | 2016
- 19309
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The butterfly – a well-defined constant-current topography pattern on Si(001):H and Ge(001):H resulting from current-induced defect fluctuationsEngelund, Mad / Godlewski, Szymon / Kolmer, Marek et al. | 2016
- 19318
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Ice nucleation of an insect lipoprotein ice nucleator (LPIN) correlates with retardation of the hydrogen bond dynamics at the myo-inositol ringBäumer, Alexander / Duman, John G. / Havenith, Martina et al. | 2016
- 19324
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Fluorescence enhancement in visible light: dielectric or noble metal?Sun, S. / Wu, L. / Bai, P. et al. | 2016
- 19324
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Fluorescence enhancement in visible light: dielectric or noble metal?Electronic supplementary information (ESI) available: Detailed mode composition, mode excitation by electric dipole, material properties of commonly used dielectrics, decay rate and quantum yield excited by a parallel dipole, quantum yield enhancement at low conductivity of plasmonic nanoparticles, change in the extinction spectrum of Si nanoparticles at various medium permittivities, fluorescence enhancement in water medium at 650 nm, fluorescence with large Stokes shifts in water medium, far field intensity of plasmonic NPs. See DOI: 10.1039/c6cp03303bSun, S et al. | 2016
- 19336
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Elucidation of transport mechanism and enhanced alkali ion transference numbers in mixed alkali metal–organic ionic molten saltsChen, Fangfang / Forsyth, Maria et al. | 2016
- 19336
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Elucidation of transport mechanism and enhanced alkali ion transference numbers in mixed alkali metal-organic ionic molten saltsElectronic supplementary information (ESI) available: Fig. S1-S3 and Tables S1 and S2. See DOI: 10.1039/c6cp01411aChen, Fangfang et al. | 2016
- 19345
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Photoelectron spectroscopic and computational study of the PtMgH3,5− cluster anionsZhang, Xinxing / Ganteför, Gerd / Alexandrova, Anastassia N. et al. | 2016
- 19345
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Photoelectron spectroscopic and computational study of the PtMgH3,5− cluster anionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03243eZhang, Xinxing et al. | 2016
- 19350
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PCl3–C6H6 heterodimers: evidence for P⋯π phosphorus bonding at low temperaturesRamanathan, N. / Sankaran, K. / Sundararajan, K. et al. | 2016
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PCl3-C6H6 heterodimers: evidence for Pp phosphorus bonding at low temperaturesRamanathan, N. / Sankaran, K. / Sundararajan, K. et al. | 2016
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Energetics, barriers and vibrational spectra of partially and fully hydrogenated hexagonal boron nitrideKroes, J. M. H. / Fasolino, A. / Katsnelson, M. I. et al. | 2016
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Energetics, barriers and vibrational spectra of partially and fully hydrogenated hexagonal boron nitrideElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp01018kKroes, J. M. H et al. | 2016
- 19368
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Mixing of exciton and charge-transfer states in light-harvesting complex Lhca4Novoderezhkin, Vladimir I. / Croce, Roberta / Wahadoszamen, Md. et al. | 2016
- 19378
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New insights into the vibrational and optical signatures of trans-stilbene via integrated experimental and quantum mechanical approachesMassuyeau, Florian / Faulques, Eric / Latouche, Camille et al. | 2016
- 19378
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New insights into the vibrational and optical signatures of trans-stilbene via integrated experimental and quantum mechanical approachesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp02787cMassuyeau, Florian et al. | 2016
- 19386
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The role of side chain entropy and mutual information for improving the de novo design of Kemp eliminases KE07 and KE70Bhowmick, Asmit / Sharma, Sudhir C. / Honma, Hallie et al. | 2016
- 19397
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Decoupling order and conductivity in doped conducting polymersMayevsky, David / Gann, Eliot / Garvey, Christopher J. et al. | 2016
- 19405
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How fast is optically induced electron transfer in organic mixed valence systems?Lambert, C. / Moos, M. / Schmiedel, A. et al. | 2016
- 19412
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A first-principles study of the thermodynamic and electronic properties of Mg and MgH2 nanowiresWu, Xinxing / Zhang, Ruiqi / Yang, Jinlong et al. | 2016
- 19420
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The structure of liquid water beyond the first hydration shellHenao, André / Busch, Sebastian / Guàrdia, Elvira et al. | 2016
- 19426
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Self-assembly behaviours of primitive and modern lipid membrane solutions: a coarse-grained molecular simulation studyArai, Noriyoshi / Yoshimoto, Yuki / Yasuoka, Kenji et al. | 2016
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Facile modulation of optical properties of octagold clusters through the control of ligand-mediated interactionsIwasaki, Mitsuhiro / Kobayashi, Naoki / Shichibu, Yukatsu et al. | 2016
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Facile modulation of optical properties of octagold clusters through the control of ligand-mediated interactionsElectronic supplementary information (ESI) available: Details of synthesis and characterisation data, and supporting spectroscopic and crystal data. CCDC 1477150 for 4·(NO3)2 and 1477151 for 4′·(BF4)4. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c6cp03129cIwasaki, Mitsuhiro et al. | 2016
- 19440
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A self-protection phenomenon in the Nafion membrane when it breathes in methanol-saturated airFeng, Kai / Tang, Beibei / Wu, Peiyi et al. | 2016
- 19451
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Does the Dirac cone of germanene exist on metal substrates?Electronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03040hWang, Yangyang et al. | 2016
- 19451
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Does the Dirac cone of germanene exist on metal substrates?Wang, Yangyang / Li, Jingzhen / Xiong, Junhua et al. | 2016
- 19457
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Shape-dependent photocatalytic hydrogen evolution activity over a Pt nanoparticle coupled g-C3N4 photocatalystCao, Shaowen / Jiang, Jing / Zhu, Bicheng et al. | 2016
- 19457
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Shape-dependent photocatalytic hydrogen evolution activity over a Pt nanoparticle coupled g-C3N4 photocatalystElectronic supplementary information (ESI) available: The FTIR spectrum, C/N ratio of g-C3N4, and HRTEM image of impure Pt nanoparticles. See DOI: 10.1039/c6cp02832bCao, Shaowen et al. | 2016
- 19464
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Infrared amplified spontaneous emission from the 0 ((3)P0) and 0 ((1)D2) ion-pair states of molecular bromineHoshino, Shoma et al. | 2016
- 19464
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Infrared amplified spontaneous emission from the 0+g (3P0) and 0+g (1D2) ion-pair states of molecular bromineHoshino, Shoma / Araki, Mitsunori / Ishiwata, Takashi et al. | 2016
- 19472
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Lone-pair-π interactions: analysis of the physical origin and biological implicationsElectronic supplementary information (ESI) available: Fig. S1: Electrostatic and Orbital energy components of the Cl−-TCB complex in the symmetrical and off-center geometries; Table S1: EDA analysis of the Cl−-TCB complex in the symmetrical and off-center geometries, Table S2: PDB coordinate files of the analyzed complexes. See DOI: 10.1039/c6cp01524gNovotný, Jan et al. | 2016
- 19472
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Lone-pair-p interactions: analysis of the physical origin and biological implicationsNovotny, J. / Bazzi, S. / Marek, R. et al. | 2016
- 19472
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Lone-pair–π interactions: analysis of the physical origin and biological implicationsNovotný, Jan / Bazzi, Sophia / Marek, Radek et al. | 2016
- 19482
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Correction: Sparse sampling methods in multidimensional NMRMobli, Mehdi / Maciejewski, Mark W. / Schuyler, Adam D. et al. | 2016
- 19483
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Inside back cover| 2016
- 19484
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Back cover| 2016
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High-valent iron (FeVI, FeV, and FeIV) species in water: characterization and oxidative transformation of estrogenic hormonesElectronic supplementary information (ESI) available: 57Fe Mössbauer spectra and X-ray diffraction patterns of initial ferrate(iv), ferrate(v), and ferrate(vi), values of the Mössbauer hyperfine parameters derived from spectral fitting, Raman spectra of degradation products of estrogens after treatment with ferrate(iv), ferrate(v), and ferrate(vi), ESI mass spectra of degradation products of estrogens after treatment with ferrate(iv), ferrate(v), and ferrate(vi), and APCI/ESI mass spectra of intermediate phases occurring on E1 degradation by ferrate(vi). See DOI: 10.1039/c6cp02216bMachalová Šišková, Karolína et al. | 2016
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Decoupling order and conductivity in doped conducting polymersElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03307eMayevsky, David et al. | 2016
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The reaction current distribution in battery electrode materials revealed by XPS-based state-of-charge mappingElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03271kPearse, Alexander J et al. | 2016