PHYSICAL CHEMISTRY CHEMICAL PHYSICS -CAMBRIDGE- ROYAL SOCIETY OF CHEMISTRY
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Table of contents
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Exploring the possibilities of two-dimensional transition metal carbides as anode materials for sodium batteriesElectronic supplementary information (ESI) available: Additional computational data, Tables S1 and S2, Fig. S1. See DOI: 10.1039/c4cp05140hJi, Hyunjun et al. | 2015
- 5006
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Dimer domain swapping versus monomer folding in apo-myoglobin studied by molecular simulationsOno, Koji / Ito, Mashiho / Hirota, Shun et al. | 2015
- 59
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Improved photocatalytic activity in RuO2-ZnO nanoparticulate heterostructures due to inhomogeneous space charge effectsElectronic supplementary information (ESI) available: FTIR spectra, EDX analysis, N2 sorption data. Complementary interface analysis and photocatalytic data (MB adsorption in the dark, MO decomposition and effect of the pH), XRD patterns of the RuO2-ZnO nanocatalyst after photocatalysis. See DOI: 10.1039/c4cp04780jJaegermann, Wolfram et al. | 2015
- 487
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Highly chromium contaminant tolerant BaO infiltrated La0.6Sr0.4Co0.2Fe0.8O3−δ cathodes for solid oxide fuel cellsElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp04172kAi, Na et al. | 2015
- 497
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Site reactivity in the free radicals induced damage to leucine residues: a theoretical studyElectronic supplementary information (ESI) available: Optimized geometries of the transition states for the HT reactions between 1 and radicals. See DOI: 10.1039/c4cp05688dGalano, A et al. | 2015
- 499
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Enabling electrochemical reduction of nitrogen to ammonia at ambient conditions through rational catalyst designElectronic supplementary information (ESI) available: Total energy of slabs for different facets, free energy diagrams, corrections to the free energies, decomposition potentials, scaling relations and volcano plots as well as summary table are added for Results and discussion section. See DOI: 10.1039/c4cp04838eAbghoui, Younes et al. | 2015
- 513
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NiO-decorated mesoporous TiO2 flowers for an improved photovoltaic dye sensitized solar cellElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp04918gXie, Yian et al. | 2015
- 5014
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Influence of zeolite pore structure on product selectivities for protolysis and hydride transfer reactions in the cracking of n-pentaneMiyaji, Akimitsu / Iwase, Yasuyoshi / Nishitoba, Toshiki et al. | 2015
- 519
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Coaxial Zn2GeO4@carbon nanowires directly grown on Cu foils as high-performance anodes for lithium ion batteriesElectronic supplementary information (ESI) available: Supplementary experimental method, SEM and TEM images, TGA, XRD, and EDX analysis, cyclic performance of ZGO@C/Cu electrode and the comparison of electrochemical data. See DOI: 10.1039/c4cp05705hYang, Ying et al. | 2015
- 522
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Formation of a built-in field at the porphyrin/ITO interface directly proven by the time-resolved photovoltage techniqueElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp05166aWei, Xiao et al. | 2015
- 527
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Theory of the formation of the electric double layer at the ion exchange membrane-solution interfaceMoya, A. A et al. | 2015
- 529
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N-confused porphyrin tautomers: lessons from density functional theoryElectronic supplementary information (ESI) available: (i) Bond angles; (ii) delta density plots; (iii) additional vibronic spectra; (iv) optimized geometries; and (v) vibrational modes' movies. See DOI: 10.1039/c4cp05158kJacquemin, Denis et al. | 2015
- 5033
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A soft/hard magnetic nanostructure based on multisegmented CoNi nanowiresPereira, A. / Palma, J. L. / Vázquez, M. et al. | 2015
- 536
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Negative thermal quenching of photoluminescence in annealed ZnO-Al2O3 core-shell nanorodsElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp04998eWang, Xiaoping et al. | 2015
- 5308
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Extending the range of switchable-hydrophilicity solventsDurelle, Jeremy / Vanderveen, Jesse R. / Quan, Yi et al. | 2015
- 539
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A model study on the photochemical isomerization of cyclic silenesElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp05377jSu, Ming-Der et al. | 2015
- 5403
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Temperature-induced amorphisation of hexagonal iceHandle, Philip H. / Loerting, Thoma et al. | 2015
- 5450
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Chemisorptive enantioselectivity of chiral epoxides on tartaric-acid modified Pd(111): three-point bondingMahapatra, Mausumi / Tysoe, Wilfred T. et al. | 2015
- 551
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Feather-like Ag@TiO2 nanostructures as plasmonic antenna to enhance optoelectronic performanceElectronic supplementary information (ESI) available: The TEM image of Ag@TiO2; SEM and TEM images of the relatively smooth surface Ag@TiO2 nanowires; typical photocurrent-voltage characteristics of electrode 7 with the relatively smooth surface Ag@TiO2 nanowires; the low-magnification TEM image of Ag@SiO2, and typical photocurrent-voltage characteristics of the photoanode with Ag@SiO2 nanoparticles; and the SEM cross-sectional view of the prepared anode with Ag@TiO2. See DOI: 10.1039/c4cp05398bZhai, Jin et al. | 2015
- 5057
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Electron migration behavior of Au/Cu multilayer films on Si substrates under UV radiationYan, Kai / Yao, Wenqing / Cao, Jiangli et al. | 2015
- 5063
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Quantum size effects on the optical properties of nc-Si QDs embedded in an a-SiOx matrix synthesized by spontaneous plasma processingDas, Debajyoti / Samanta, Arup et al. | 2015
- 572
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Is hexagonal boron nitride always good as a substrate for carbon nanotube-based devices?Electronic supplementary information (ESI) available. See DOI: 10.1039/c4cp05478dKim, Gunn et al. | 2015
- 5078
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Quantitative depth profiling of Ce3+ in Pt/CeO2 by in situ high-energy XPS in a hydrogen atmosphereKato, Shunsuke / Ammann, Marku / Huthwelker, Thoma et al. | 2015
- 584
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Lithium storage in disordered graphitic materials: a semi-quantitative study of the relationship between structure disordering and capacityElectronic supplementary information (ESI) available: BET surface area. See DOI: 10.1039/c4cp05589fLi, Lu Hua et al. | 2015
- 4775
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Front cover| 2015
- 4777
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Contents list| 2015
- 4799
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Recent progress in theoretical and computational investigations of Li-ion battery materials and electrolytesBhatt, Mahesh Datt / O'Dwyer, Colm et al. | 2015
- 4845
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Self-assembly of SnO2 quantum dots into hierarchically ordered structures assisted by oriented attachmentZhuang, Zanyong / Xue, Xiaogang / Lin, Zhang et al. | 2015
- 4849
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Properties and photochemistry of valence-induced-Ti3+ enriched (Nb,N)-codoped anatase TiO2 semiconductorsFolli, Andrea / Bloh, Jonathan Z. / Lecaplain, Anaï et al. | 2015
- 4854
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Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principlesQin, Guangzhao / Yan, Qing-Bo / Qin, Zhenzhen et al. | 2015
- 4859
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Direct evidence for a substantive reaction between the Criegee intermediate, CH2OO, and the water vapour dimerLewis, Tom R. / Blitz, Mark A. / Heard, Dwayne E. et al. | 2015
- 4864
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The critical role of intragap states in the energy transfer from gold nanoparticles to TiO2Naldoni, Alberto / Fabbri, Filippo / Altomare, Marco et al. | 2015
- 4870
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Highly chromium contaminant tolerant BaO infiltrated La0.6Sr0.4Co0.2Fe0.8O3-d cathodes for solid oxide fuel cellsChen, K. / Ai, N. / O'Donnell, K. et al. | 2015
- 4870
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Highly chromium contaminant tolerant BaO infiltrated La0.6Sr0.4Co0.2Fe0.8O3−δ cathodes for solid oxide fuel cellsChen, Kongfa / Ai, Na / O'Donnell, Kane M. et al. | 2015
- 4875
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In vivo EPR on spin labeled colicin A reveals an oligomeric assembly of the pore-forming domain in E. coli membranesDunkel, S. / Pulagam, L. P. / Steinhoff, H.-J. et al. | 2015
- 4879
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Correlation between the surface electronic structure and CO-oxidation activity of Pt alloysAbe, Hideki / Yoshikawa, Hideki / Umezawa, Naoto et al. | 2015
- 4888
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Hydrogen atom transfer reactions in thiophenol: photogeneration of two new thione isomersReva, Igor / Nowak, Maciej J. / Lapinski, Leszek et al. | 2015
- 4899
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A density functional theory study of ethylene hydrogenation on MgO- and g-Al2O3-supported carbon-containing Ir4 clustersQi, K. / Zhao, J. M. / Wang, G. C. et al. | 2015
- 4899
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A density functional theory study of ethylene hydrogenation on MgO- and γ-Al2O3-supported carbon-containing Ir4 clustersQi, Kezhen / Zhao, Jin-Mo / Wang, Gui-Chang et al. | 2015
- 4909
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Enabling electrochemical reduction of nitrogen to ammonia at ambient conditions through rational catalyst designAbghoui, Youne / Garden, Anna L. / Hlynsson, Valtýr Freyr et al. | 2015
- 4919
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Revealing the interactions between pentagon–octagon–pentagon defect graphene and organic donor/acceptor molecules: a theoretical studyLi, Jie-Wei / Liu, Yu-Yu / Xie, Ling-Hai et al. | 2015
- 4926
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Expansion dynamics of supercritical water probed by picosecond time-resolved photoelectron spectroscopyGladytz, Thoma / Abel, Bernd / Siefermann, Katrin R. et al. | 2015
- 4937
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Enhanced charge collection with ultrathin AlOx electron blocking layer for hole-transporting material-free perovskite solar cellWei, Huiyun / Shi, Jiangjian / Xu, Xin et al. | 2015
- 4945
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Controlled growth of extended arrays of CoSi2 hexagonal nanoplatelets buried in Si(001), Si(011) and Si(111) wafersKellermann, G. / Montoro, L. A. / Giovanetti, L. J. et al. | 2015
- 4952
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First principles characterization of silicate sites in clay surfacesAlvim, Raphael S. / Miranda, Caetano R. et al. | 2015
- 4961
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Solvation dynamics and energetics of intramolecular hydride transfer reactions in biomass conversionMushrif, Samir H. / Varghese, Jithin J. / Krishnamurthy, Chethana B. et al. | 2015
- 4970
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Site reactivity in the free radicals induced damage to leucine residues: a theoretical studyMedina, M. E. / Galano, A. / Alvarez-Idaboy, J. R. et al. | 2015
- 4977
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Scaling properties of information-theoretic quantities in density functional reactivity theoryRong, Chunying / Lu, Tian / Ayers, Paul W. et al. | 2015
- 4989
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From charge transfer to electron transfer in halogen-bonded complexes of electrophilic bromocarbons with halide anionsRosokha, Sergiy V. / Traversa, Alfredo et al. | 2015
- 5000
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Exploring the possibilities of two-dimensional transition metal carbides as anode materials for sodium batteriesYang, Eunjeong / Ji, Hyunjun / Kim, Jaehoon et al. | 2015
- 5039
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A model study on the photochemical isomerization of cyclic silenesSu, Ming-Der et al. | 2015
- 5043
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Improved photoactivity of TiO2–Fe2O3 nanocomposites for visible-light water splitting after phosphate bridging and its mechanismLuan, Peng / Xie, Mingzheng / Fu, Xuedong et al. | 2015
- 5051
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Feather-like Ag@TiO2 nanostructures as plasmonic antenna to enhance optoelectronic performanceWang, Yang / Zhai, Jin / Song, Yanlin et al. | 2015
- 5072
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Is hexagonal boron nitride always good as a substrate for carbon nanotube-based devices?Kang, Seoung-Hun / Kim, Gunn / Kwon, Young-Kyun et al. | 2015
- 5084
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Lithium storage in disordered graphitic materials: a semi-quantitative study of the relationship between structure disordering and capacityXing, Tan / Ramireddy, Thrinathreddy / Li, Lu Hua et al. | 2015
- 5090
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Improved photocatalytic activity in RuO2–ZnO nanoparticulate heterostructures due to inhomogeneous space charge effectsUddin, Md. Tamez / Nicolas, Yohann / Olivier, Céline et al. | 2015
- 5103
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NiO-decorated mesoporous TiO2 flowers for an improved photovoltaic dye sensitized solar cellZhi, Jian / Chen, Angran / Cui, Houlei et al. | 2015
- 5109
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Coaxial Zn2GeO4@carbon nanowires directly grown on Cu foils as high-performance anodes for lithium ion batteriesChen, Weimin / Lu, Liyou / Maloney, Scott et al. | 2015
- 5115
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Synthesis and characterization of bicontinuous cubic poly(3,4-ethylene dioxythiophene) gyroid (PEDOT GYR) gelsCho, Whirang / Wu, Jinghang / Shim, Bong Sup et al. | 2015
- 5124
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LEIS and XPS investigation into the growth of cerium and cerium dioxide on Cu(111)Vári, G. / Óvári, L. / Kiss, J. et al. | 2015
- 5133
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Crystal-plane-dependent metal–support interaction in Au/TiO2Liu, Lichen / Ge, Chengyan / Zou, Weixin et al. | 2015
- 5141
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Diffusion-driven and size-dependent phase changes of gallium oxide nanocrystals in a glassy hostGolubev, N. V. / Ignat'eva, E. S. / Sigaev, V. N. et al. | 2015
- 5151
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Light induced modulation of charge transport phenomena across the bistability region in [Fe(Htrz)2(trz)](BF4) spin crossover micro-rodsLefter, Constantin / Tan, Reasmey / Dugay, Julien et al. | 2015
- 5155
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A molecular view of cisplatin's mode of action: interplay with DNA bases and acquired resistanceMarques, M. Paula M. / Gianolio, Diego / Cibin, Giannantonio et al. | 2015
- 5172
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Interaction of collagen like peptides with gold nanosurfaces: a molecular dynamics investigationGopalakrishnan, R. / Azhagiya Singam, E. R. / Vijaya Sundar, J. et al. | 2015
- 5187
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Energy efficiency in surmounting the central energy barrier: a quantum dynamics study of the OH + CH3 → O + CH4 reactionYan, Pengxiu / Meng, Fanbin / Wang, Yuping et al. | 2015
- 5194
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Thermal vibration of a single-walled carbon nanotube predicted by semiquantum molecular dynamicsLiu, Rumeng / Wang, Lifeng et al. | 2015
- 5202
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Formation of a built-in field at the porphyrin/ITO interface directly proven by the time-resolved photovoltage techniqueWei, Xiao / Han, Li-Na / Mao, Cheng-Yu et al. | 2015
- 5219
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Electrocapillarity and zero-frequency differential capacitance at the interface between mercury and ionic liquids measured using the pendant drop methodNishi, Naoya / Hashimoto, Atsunori / Minami, Eiji et al. | 2015
- 5227
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Knitting up 2,7-disubstituted carbazole based oligomers through supramolecular interactions for their application in organic thin film transistorsSingh, Ranjodh / Meena, Jagan Singh / Wu, Chung-Shu et al. | 2015
- 5236
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Structural investigation of resorcinol based symmetrical banana mesogens by XRD, NMR and polarization measurementsKesava Reddy, M. / Varathan, E. / Jacintha, B. et al. | 2015
- 5248
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The structures of hexadecylamine films adsorbed on iron-oxide surfaces in dodecane and hexadecaneDoig, Michael / Camp, Philip J. et al. | 2015
- 5256
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Activation of a MnO2 cathode by water-stimulated Mg2+ insertion for a magnesium ion batterySong, Jaehee / Noked, Malakhi / Gillette, Eleanor et al. | 2015
- 5265
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Correlation of electron transport and photocatalysis of nanocrystalline clusters studied by Monte-Carlo continuity random walkingLiu, Baoshun / Li, Ziqiang / Zhao, Xiujian et al. | 2015
- 5274
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The fine structure of Pearlman's catalystAlbers, Peter W. / Möbus, Konrad / Wieland, Stefan D. et al. | 2015
- 5279
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Chemistry specificity of DNA–polycation complex salt response: a simulation study of DNA, polylysine and polyethyleneimineAntila, Hanne S. / Härkönen, Marc / Sammalkorpi, Maria et al. | 2015
- 5290
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N-confused porphyrin tautomers: lessons from density functional theoryMarchand, Gabriel / Roy, Hélène / Mendive-Tapia, David et al. | 2015
- 5298
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Nanostructure of mixtures of protic ionic liquids and lithium salts: effect of alkyl chain lengthMéndez-Morales, Trinidad / Carrete, Jesú / Rodríguez, Julio R. et al. | 2015
- 5314
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Calculating nuclear magnetic resonance shieldings using systematic molecular fragmentation by annihilationReid, David M. / Collins, Michael A. et al. | 2015
- 5321
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A DFT study of the effect of OH groups on the optical, electronic, and structural properties of TiO2 nanoparticlesMiroshnichenko, Olga / Auvinen, Sami / Alatalo, Matti et al. | 2015
- 5328
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The lowest triplet states of bridged cis-2,2prime-bithiophenes - theory vs. experimentAndrzejak, M. / Szczepanik, D. / Orzel, L. et al. | 2015
- 5328
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The lowest triplet states of bridged cis-2,2′-bithiophenes – theory vs. experimentAndrzejak, Marcin / Szczepanik, Dariusz W. / Orzeł, Łukasz et al. | 2015
- 5338
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Evidence of “new hot spots” from determining the nonlinear optical behavior of materials: mechanistic studies of the vanadium borate crystal, Na3VO2B6O11Su, Xin / Yang, Zhihua / Lee, Ming-Hsien et al. | 2015
- 5345
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Photocatalytic degradation of methylene blue with a nanocomposite system: synthesis, photocatalysis and degradation pathwaysXia, Shengjie / Zhang, Lianyang / Pan, Guoxiang et al. | 2015
- 5352
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Elucidating the real-time Ag nanoparticle growth on a-Ag2WO4 during electron beam irradiation: experimental evidence and theoretical insightsPereira, W. / Andres, J. / Gracia, L. et al. | 2015
- 5352
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Elucidating the real-time Ag nanoparticle growth on α-Ag2WO4 during electron beam irradiation: experimental evidence and theoretical insightsPereira, Wyllamanney da Silva / Andrés, Juan / Gracia, Lourde et al. | 2015
- 5360
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Negative thermal quenching of photoluminescence in annealed ZnO–Al2O3 core–shell nanorodsWu, Yukun / Li, Junwen / Ding, Huaiyi et al. | 2015
- 5366
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Mechanism of a molecular photo-switch adsorbed on Si(100)Bazarnik, Maciej / Jurczyszyn, Leszek / Czajka, Ryszard et al. | 2015
- 5372
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A slow, continuous beam of cold benzonitrilePatterson, David / Doyle, John M. et al. | 2015
- 5376
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Native like helices in a specially designed β peptide in the gas phaseSchubert, Franziska / Pagel, Kevin / Rossi, Mariana et al. | 2015
- 5376
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Native like helices in a specially designed b peptide in the gas phaseSchubert, F. / Pagel, K. / Rossi, M. et al. | 2015
- 5386
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Tuning the thermoelectric properties of a single-molecule junction by mechanical stretchingTorres, Alberto / Pontes, Renato B. / da Silva, Antônio J. R. et al. | 2015
- 5393
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Stacked functionalized silicene: a powerful system to adjust the electronic structure of siliceneDenis, Pablo A. et al. | 2015
- 5413
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The self assembly of proteins; probing patchy protein interactionsJames, Susan / Quinn, Michelle K. / McManus, Jennifer J. et al. | 2015
- 5421
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Artificially maturated [FeFe] hydrogenase from Chlamydomonas reinhardtii: a HYSCORE and ENDOR study of a non-natural H-clusterAdamska-Venkatesh, Agnieszka / Simmons, Trevor R. / Siebel, Judith F. et al. | 2015
- 5431
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A systematic study of the effect of molecular weights of polyvinyl alcohol on polyvinyl alcohol–graphene oxide composite hydrogelsXue, Rongrong / Xin, Xia / Wang, Lin et al. | 2015
- 5441
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Towards a new FRET system via combination of pyrene and perylene bisimide: synthesis, self-assembly and fluorescence behaviorElectronic supplementary information (ESI) available: The synthetic procedures, the characterization data, UV-Vis absorption spectra, some fluorescence spectra, lifetime spectra of the compound, AFM image, fluorescence spectra of the sensing film and the Förster distance R0 for FRET. See DOI: 10.1039/c4cp04860aZhao, Keru et al. | 2015
- 5441
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Towards a new FRET system via combination of pyrene and perylene bisimide: synthesis, self-assembly and fluorescence behaviorWang, Gang / Chang, Xingmao / Peng, Junxia et al. | 2015
- 5459
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Theoretical studies on POM-based organic–inorganic hybrids containing double D–A1–π–A2 chains for high-performance p-type, dye-sensitized solar cells (DSSCs)Zhang, Ting / Guan, Wei / Yan, Likai et al. | 2015
- 5459
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Theoretical studies on POM-based organic-inorganic hybrids containing double D-A1-p-A2 chains for high-performance p-type, dye-sensitized solar cells (DSSCs)Zhang, T. / Guan, W. / Yan, L. et al. | 2015
- 5466
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Geometry of the magic number H+(H2O)21 water cluster by proxyRyding, Mauritz Johan / Izsák, Róbert / Merlot, Patrick et al. | 2015
- 5466
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Geometry of the magic number H+(H2O)21 water cluster by proxyElectronic supplementary information (ESI) available. See DOI: 10.1039/c4cp05246cHelgaker, Trygve et al. | 2015
- 5474
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DNA-encapsulated chain and wire-like β-MnO2 organosol for oxidative polymerization of pyrrole to polypyrroleEde, Sivasankara Rao / Anantharaj, S. / Nithiyanantham, U. et al. | 2015
- 5474
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DNA-encapsulated chain and wire-like b-MnO2 organosol for oxidative polymerization of pyrrole to polypyrroleEde, S. / Anantharaj, S. / Nithiyanantham, U. et al. | 2015
- 5485
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The role of the VZn–NO–H complex in the p-type conductivity in ZnOAmini, M. N. / Saniz, R. / Lamoen, D. et al. | 2015
- 5491
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Back cover| 2015