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
- 27000
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Back cover| 2016
- 269
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Surface functionalized H2Ti3O7 nanowires engineered for visible-light photoswitching, electrochemical water splitting, and photocatalysisElectronic supplementary information (ESI) available: SAED pattern of HTO NWs, EFTEM image of C-HTO NWs, XPS spectra, scheme for the origin of different PL emissions in HTO, and UV-Vis-NIR absorption spectra of RhB in the presence of the NW samples. See DOI: 10.1039/c6cp05154eSarkar, Ayan et al. | 2016
- 26404
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Electrochemical oxidation of dihydronicotinamide adenine dinucleotide (NADH): comparison of highly oriented pyrolytic graphite (HOPG) and polycrystalline boron-doped diamond (pBDD) electrodesMaddar, Faduma M. / Lazenby, Robert A. / Patel, Anisha N. et al. | 2016
- 26530
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Design and simple synthesis of composite Bi12TiO20/Bi4Ti3O12 with a good photocatalytic quantum efficiency and high production of photo-generated hydroxyl radicalsDu, Chun / Li, Donghai / He, Qinyu et al. | 2016
- 2655
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Connecting charge transfer kinetics to device parameters of a narrow-bandgap polymer-based solar cellElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04688fSong, Jongwoo et al. | 2016
- 26509
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Influence of asymmetric depletion of solvents on the electric double layer of charged objects in binary polar solvent mixturesSin, Jun-Sik / Pak, Hak-Chol / Sin, Chung-Sik et al. | 2016
- 26602
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Facile synthesis of hierarchical Mn3O4 superstructures and efficient catalytic performanceHu, Zhixiang / Chen, Dayong / Dong, Jingyu et al. | 2016
- 2663
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Interfacial properties of POPC/GDO liquid crystalline nanoparticles deposited on anionic and cationic silica surfacesElectronic supplementary information (ESI) available: This includes Fig. S1-S11 as well as Tables S1-S3. These are complementary DLS, SAXD, QCM-D and NR data, including data pertaining to bare silica surfaces and adsorption of P80 polymer. See DOI: 10.1039/c6cp04506eChang, Debby P et al. | 2016
- 26670
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Superelastic stress–strain behavior in ferrogels with different types of magneto-elastic couplingCremer, Peet / Löwen, Hartmut / Menzel, Andreas M. et al. | 2016
- 2669
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Influence of electric potential on the apparent viscosity of an ionic liquid: facts and artifactsElectronic supplementary information (ESI) available: Experimental setup and procedure; additional experimental findings. See DOI: 10.1039/c6cp02846bPloss, Moritz A et al. | 2016
- 2673
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pH-Sensitive fluorophores from locked GFP chromophores by a non-alternant analogue of the photochemical meta effectElectronic supplementary information (ESI) available: Technical details of quantum chemistry calculations, description of syntheses, additional spectroscopic data, and description of spectral deconvolution method and results. See DOI: 10.1039/c6cp02423hOlsen, Seth et al. | 2016
- 2687
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A search map for organic additives and solvents applicable in high-voltage rechargeable batteriesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05800kPark, Min Sik et al. | 2016
- 26960
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From intermolecular interactions to structures and properties of a novel cocrystal explosive: a first-principles studyZhang, Lei / Wu, Ji-Zhou / Jiang, Sheng-Li et al. | 2016
- 2697
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Theoretical calculation of the vibrational state dependent photodetachment spectra of X−H2O, X = F, Cl, BrElectronic supplementary information (ESI) available: Comparison of the 4-dimensional vibrational calculation using B3LYP and MP2, comparison of the vibrational state dependent photodetachment spectra with a DVR grid, binding energies, a figure of the vibrational state dependent photodetachment spectra for low frequencies, one dimensional cut of the potential energy curve, molecular orbitals of X−H2O, and XYZ geometries of the calculated structures. See DOI: 10.1039/c6cp04886bPunyain, Wikorn et al. | 2016
- 2698
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Infrared spectrum of the cold ortho-fluorinated protonated neurotransmitter 2-phenylethylamine: competition between NH+ π and NH+ F interactionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05915eSchütz, Markus et al. | 2016
- 26990
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Comment on T. Stauch, A. Dreuw, “Stiff-stilbene photoswitch ruptures bonds not by pulling but by local heating”, Phys. Chem. Chem. Phys., 2016, 18, 15848Tian, Yancong / Boulatov, Roman et al. | 2016
- 26313
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Front cover| 2016
- 26314
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Inside front cover| 2016
- 26315
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Contents list| 2016
- 26335
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Accurate nonadiabatic dynamicsGuo, Hua / Yarkony, David R. et al. | 2016
- 26353
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Bidirectional particle transport and size selective sorting of Brownian particles in a flashing spatially periodic energy landscapeElectronic supplementary information (ESI) available: Two videoclips illustrating the dynamics of the magnetic colloids. See DOI: 10.1039/c6cp05599kMartinez-Pedrero, Fernando et al. | 2016
- 26353
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Bidirectional particle transport and size selective sorting of Brownian particles in a flashing spatially periodic energy landscapeMartinez-Pedrero, Fernando / Massana-Cid, Helena / Ziegler, Till et al. | 2016
- 26358
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Mode specificity of the dissociative chemisorption of HOD on rigid Cu(111): an approximate full-dimensional quantum dynamics studyLiu, Tianhui / Zhang, Zhaojun / Chen, Jun et al. | 2016
- 26365
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Hetero-dinuclear complexes of 3d metals with a bridging dinitrogen ligand: theoretical prediction of the characteristic features of geometry and spin multiplicityNakagaki, Masayuki / Sakaki, Shigeyoshi et al. | 2016
- 26365
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Hetero-dinuclear complexes of 3d metals with a bridging dinitrogen ligand: theoretical prediction of the characteristic features of geometry and spin multiplicityElectronic supplementary information (ESI) available: Molecular orbitals excluded from active space (Fig. S1); various spin states in (μ-N2)[M1(AIP)][M2(AIP)] (Fig. S2); geometrical parameters of homo- and hetero-dinuclear ISTCs (Table S1); occupation numbers of CASSCF orbitals of Cr-Mn, Cr-Fe, and Cr-Co ISTCs (Table S2); spin population in the high spin state and the spin-spin coupling constant J between two metal atoms (Table S3); MO diagram of Cr-Fe ISTC (Fig. S3); MO diagram of Cr-Co ISTC (Fig. S4); main electron configurations of the A2 state of Cr-Mn ISTC (Table S4); and bonding and anti-bonding MOs of the B2 state of Cr-Mn ISTC in the η1-end-on structure (Fig. S5). See DOI: 10.1039/c6cp03312aNakagaki, Masayuki et al. | 2016
- 26376
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Deposition of ZnO on bismuth species towards a rechargeable Zn-based aqueous batteryShin, JaeWook / You, Jung-Min / Lee, Jungwoo Z. et al. | 2016
- 26376
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Deposition of ZnO on bismuth species towards a rechargeable Zn-based aqueous batteryElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04566aShin, JaeWook et al. | 2016
- 26383
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The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspectiveGuevara-Vela, José Manuel / Romero-Montalvo, Eduardo / Costales, Aurora et al. | 2016
- 26391
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Steric confinement and enhanced local flexibility assist knotting in simple models of protein foldingSoler, Miguel A. / Rey, Antonio / Faísca, Patrícia F. N. et al. | 2016
- 26412
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Pseudocontact shifts from mobile spin labelsSuturina, Elizaveta A. / Kuprov, Ilya et al. | 2016
- 26412
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Pseudocontact shifts from mobile spin labelsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05437dSuturina, Elizaveta A et al. | 2016
- 26423
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Observation of a new channel, the production of CH3, in the abstraction reaction of OH radicals with acetaldehydeElectronic supplementary information (ESI) available: Additional details on experimental techniques, the calibration methods, the investigation of possible interferences from secondary chemistry and the pressure dependence of calculated CH3 yields. This material is available free of charge via the Internet at http://pubs.acs.org. See DOI: 10.1039/c6cp03970gHowes, Neil U. M et al. | 2016
- 26423
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Observation of a new channel, the production of CH3, in the abstraction reaction of OH radicals with acetaldehydeHowes, Neil U. M. / Lockhart, James P. A. / Blitz, Mark A. et al. | 2016
- 26434
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Stability of surface protons in pyridine-catalyzed CO2 reduction at p-GaP photoelectrodesElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04272dLessio, Martina et al. | 2016
- 26434
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Stability of surface protons in pyridine-catalyzed CO2 reduction at p-GaP photoelectrodesLessio, Martina / Riplinger, Christoph / Carter, Emily A. et al. | 2016
- 26444
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Metallic nanowires and mesoscopic networks on a free surface of superfluid helium and charge-shuttling across the liquid–gas interfaceMoroshkin, P. / Batulin, R. / Leiderer, P. et al. | 2016
- 26456
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Thermal effect on the morphology and performance of organic photovoltaicsKawashima, Eisuke / Fujii, Mikiya / Yamashita, Koichi et al. | 2016
- 26456
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Thermal effect on the morphology and performance of organic photovoltaicsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04019eKawashima, Eisuke et al. | 2016
- 26466
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Improving the photocatalytic activity of s-triazine based graphitic carbon nitride through metal decoration: an ab initio investigationElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03126aSrinivasu, K et al. | 2016
- 26466
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Improving the photocatalytic activity of s-triazine based graphitic carbon nitride through metal decoration: an ab initio investigationSrinivasu, K. / Modak, Brindaban / Ghosh, Swapan K. et al. | 2016
- 26475
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Tuning the thermoelectric properties of A-site deficient SrTiO3 ceramics by vacancies and carrier concentrationSrivastava, Deepanshu / Norman, Colin / Azough, Feridoon et al. | 2016
- 26487
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Variational first hyperpolarizabilities of 2,3-naphtho-15-crown-5 ether derivatives with cation-complexing: a potential and selective cation detectorElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04577dYu, Hai-Ling et al. | 2016
- 26487
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Variational first hyperpolarizabilities of 2,3-naphtho-15-crown-5 ether derivatives with cation-complexing: a potential and selective cation detectorYu, Hai-Ling / Wang, Wen-Yong / Hong, Bo et al. | 2016
- 26495
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Attachment of composite porous supra-particles to air–water and oil–water interfaces: theory and experimentPaunov, Vesselin N. / Al-Shehri, Hamza / Horozov, Tommy S. et al. | 2016
- 26519
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Systematic design and application of unimolecular star-like block copolymer micelles: a coarse-grained simulation studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05039eZhang, Xiaofang et al. | 2016
- 26519
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Systematic design and application of unimolecular star-like block copolymer micelles: a coarse-grained simulation studyZhang, Xiaofang / Lin, Wenjing / Wen, Liyang et al. | 2016
- 26539
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When does near-wall hindered diffusion influence mass transport towards targets?Eloul, Shaltiel / Kätelhön, Enno / Compton, Richard G. et al. | 2016
- 26539
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When does near-wall hindered diffusion influence mass transport towards targets?Electronic supplementary information (ESI) available: Includes details on the computational methods (1), the solution of the diffusion equation towards a sphere (2), further details on the anisotropic 2D diffusion equation (3), and discussion on the residual maps of the steady state flu equations (4). See DOI: 10.1039/c6cp05716kEloul, Shaltiel et al. | 2016
- 26550
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Connecting charge transfer kinetics to device parameters of a narrow-bandgap polymer-based solar cellSong, Jongwoo / Lee, Younah / Jin, Boa et al. | 2016
- 26562
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Catalytic effects of silver plasmonic nanoparticles on the redox reaction leading to ABTS&z.rad;+ formation studied using UV-visible and Raman spectroscopyGarcia-Leis, A. / Jancura, D. / Antalik, M. et al. | 2016
- 26562
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Catalytic effects of silver plasmonic nanoparticles on the redox reaction leading to ABTS&z.rad;+ formation studied using UV-visible and Raman spectroscopyElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04387aGarcia-Leis, A et al. | 2016
- 26572
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Constructing B and N separately co-doped carbon nanocapsules-wrapped Fe/Fe3C for oxygen reduction reaction with high current densityFeng, He / Wang, Lei / Zhao, Lu et al. | 2016
- 26572
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Constructing B and N separately co-doped carbon nanocapsules-wrapped Fe/Fe3C for oxygen reduction reaction with high current densityElectronic supplementary information (ESI) available: XRD, XPS, TG and electrochemical data. See DOI: 10.1039/c6cp05473kFeng, He et al. | 2016
- 26579
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Self-assembly of colloidal magnetic particles: energy landscapes and structural transitionsHernández-Rojas, J. / Chakrabarti, D. / Wales, D. J. et al. | 2016
- 26579
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Self-assembly of colloidal magnetic particles: energy landscapes and structural transitionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03085hHernández-Rojas, J et al. | 2016
- 26586
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Strong Fermi level pinning induces a high rectification ratio and negative differential resistance in hydrogen bonding bridged single cytidine pair junctionsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03141bRen, Hao et al. | 2016
- 26586
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Strong Fermi level pinning induces a high rectification ratio and negative differential resistance in hydrogen bonding bridged single cytidine pair junctionsRen, Hao / Zhang, Guangping / Lin, Na et al. | 2016
- 26595
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Mechanistic insights into lithium ion battery electrolyte degradation – a quantitative NMR studyWiemers-Meyer, S. / Winter, M. / Nowak, S. et al. | 2016
- 26609
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Influence of electric potential on the apparent viscosity of an ionic liquid: facts and artifactsPloss, Moritz A. / Rutland, Mark W. / Glavatskih, Sergei et al. | 2016
- 26616
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Understanding the surface segregation behavior of transition metals on Ni(111): a first-principles studyYu, Yanlin / Xiao, Wei / Wang, Jianwei et al. | 2016
- 26623
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Theoretical investigation of the singlet-triplet splittings for carbazole-based thermally activated delayed fluorescence emittersElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04545fLiang, Ke et al. | 2016
- 26623
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Theoretical investigation of the singlet–triplet splittings for carbazole-based thermally activated delayed fluorescence emittersLiang, Ke / Zheng, Caijun / Wang, Kai et al. | 2016
- 26630
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Interfacial properties of POPC/GDO liquid crystalline nanoparticles deposited on anionic and cationic silica surfacesChang, Debby P. / Dabkowska, Aleksandra P. / Campbell, Richard A. et al. | 2016
- 26643
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Effects of atomic interaction stiffness on low-temperature relaxation of amorphous solidsSun, Y. T. / Wang, J. Q. / Li, Y. Z. et al. | 2016
- 26651
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Electronic structure and energy decomposition analyses as a tool to interpret the redox potential ranking of naphtho-, biphenyl- and biphenylene-quinone isomersTomerini, D. / Politano, O. / Gatti, C. et al. | 2016
- 26661
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Tunable light trapping and absorption enhancement with graphene ring arraysXiao, Shuyuan / Wang, Tao / Liu, Yuebo et al. | 2016
- 26661
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Tunable light trapping and absorption enhancement with graphene ring arraysElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03731cXiao, Shuyuan et al. | 2016
- 26691
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Structures of the kinetically trapped i-motif DNA intermediatesGarabedian, Alyssa / Butcher, David / Lippens, Jennifer L. et al. | 2016
- 26703
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pH-Sensitive fluorophores from locked GFP chromophores by a non-alternant analogue of the photochemical meta effectOlsen, Seth / Baranov, Mikhail S. / Baleeva, Nadezhda S. et al. | 2016
- 26712
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Fabrication of hierarchical TiO2 coated Co20Ni80 particles with tunable core sizes as high-performance wide-band microwave absorbersElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04081kChen, Chen et al. | 2016
- 26712
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Fabrication of hierarchical TiO2 coated Co20Ni80 particles with tunable core sizes as high-performance wide-band microwave absorbersChen, Chen / Liu, Qinghe / Bi, Han et al. | 2016
- 26719
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Probing the microhydration of metal carbonyls: a photoelectron velocity-map imaging spectroscopic and theoretical study of Ni(CO)3(H2O)n−Electronic supplementary information (ESI) available: Comparison of experimental and calculated VDE values for the most stable isomer of the Ni(CO)3(H2O)− anion (1A) by different density functional theory methods (Table S1); natural population analysis results (Tables S2 and S3); spin density isosurfaces (Fig. S1); molecular orbital pictures (Fig. S2); and Cartesian coordinates for the isomers. See DOI: 10.1039/c6cp05035bXie, Hua et al. | 2016
- 26719
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Probing the microhydration of metal carbonyls: a photoelectron velocity-map imaging spectroscopic and theoretical study of Ni(CO)3(H2O)n−Xie, Hua / Zou, Jinghan / Kong, Xiangtao et al. | 2016
- 26725
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Solvent effects on the thermal isomerization of a rotary molecular motorLubbe, Anouk S. / Kistemaker, Jos C. M. / Smits, Esther J. et al. | 2016
- 26725
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Solvent effects on the thermal isomerization of a rotary molecular motorElectronic supplementary information (ESI) available: Synthesis and characterization of motor 1; kinetic experiments; application of the viscosity-correction Eyring equation; fatigue test of motor 1; viscosity measurements. See DOI: 10.1039/c6cp03571jLubbe, Anouk S et al. | 2016
- 26736
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Mechanical properties of monolayer penta-graphene and phagraphene: a first-principles studySun, Hao / Mukherjee, Sankha / Singh, Chandra Veer et al. | 2016
- 26743
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Gas phase vibrational spectroscopy of the protonated water pentamer: the role of isomers and nuclear quantum effectsFagiani, Matias R. / Knorke, Harald / Esser, Tim K. et al. | 2016
- 26743
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Gas phase vibrational spectroscopy of the protonated water pentamer: the role of isomers and nuclear quantum effectsElectronic supplementary information (ESI) available: A PDF file with Fig. S1-S6 and Tables S1-S13. See DOI: 10.1039/c6cp05217gFagiani, Matias R et al. | 2016
- 26755
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Ab initio molecular dynamics study of Se(iv) species in aqueous environmentBorah, Sangkha / Kumar, P. Padma et al. | 2016
- 26764
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The structure of Pyrex® glass investigated by correlation NMR spectroscopyTricot, G. et al. | 2016
- 26771
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Large enhancement in photocurrent by Mn doping in CdSe/ZTO quantum dot sensitized solar cellsPimachev, Artem / Poudyal, Uma / Proshchenko, Vitaly et al. | 2016
- 26777
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Effects of temperature and gas–liquid mass transfer on the operation of small electrochemical cells for the quantitative evaluation of CO2 reduction electrocatalystsLobaccaro, Peter / Singh, Meenesh R. / Clark, Ezra Lee et al. | 2016
- 26777
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Effects of temperature and gas-liquid mass transfer on the operation of small electrochemical cells for the quantitative evaluation of CO2 reduction electrocatalystsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05287hLobaccaro, Peter et al. | 2016
- 26786
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Induction of unidirectional π-electron rotations in low-symmetry aromatic ring molecules using two linearly polarized stationary lasersElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04254fMineo, Hirobumi et al. | 2016
- 26786
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Induction of unidirectional p-electron rotations in low-symmetry aromatic ring molecules using two linearly polarized stationary lasersMineo, H. / Yamaki, M. / Kim, G. S. et al. | 2016
- 26786
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Induction of unidirectional π-electron rotations in low-symmetry aromatic ring molecules using two linearly polarized stationary lasersMineo, Hirobumi / Yamaki, Masahiro / Kim, Gap-Sue et al. | 2016
- 26796
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Ice nucleation on nanotextured surfaces: the influence of surface fraction, pillar height and wetting statesMetya, Atanu K. / Singh, Jayant K. / Müller-Plathe, Florian et al. | 2016
- 26807
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A search map for organic additives and solvents applicable in high-voltage rechargeable batteriesPark, Min Sik / Park, Insun / Kang, Yoon-Sok et al. | 2016
- 26816
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Assessing Hubbard-corrected AM05+U and PBEsol+U density functionals for strongly correlated oxides CeO2 and Ce2O3Weck, Philippe F. / Kim, Eunja et al. | 2016
- 26827
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Structures and spectroscopy of protonated ammonia clusters at different temperaturesElectronic supplementary information (ESI) available: Per ammonia binding energies of H+(NH3)n=2-9 are reported in Table S1. The IR spectra (those not presented in the manuscript) of all the isomers of H+(NH3)n=2-9 are also provided. Cartesian coordinates for all the isomers of the various clusters of protonated ammonia clusters studied in this work are also provided. See DOI: 10.1039/c6cp03240kMalloum, Alhadji et al. | 2016
- 26827
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Structures and spectroscopy of protonated ammonia clusters at different temperaturesMalloum, Alhadji / Fifen, Jean Jule / Dhaouadi, Zoubeida et al. | 2016
- 26844
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Controlling O coverage and stability by alloying Au and AgMontemore, Matthew M. / Cubuk, Ekin D. / Klobas, J. Eric et al. | 2016
- 26844
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Controlling O coverage and stability by alloying Au and AgElectronic supplementary information (ESI) available: Full TPD traces, and further information on synthesis, dissociation pathways, and electronic structure. See DOI: 10.1039/c6cp05611cMontemore, Matthew M et al. | 2016
- 26854
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Synthesis of a highly efficient 3D graphene-CNT-MnO2-PANI nanocomposite as a binder free electrode material for supercapacitorsElectronic supplementary information (ESI) available: FESEM micrographs, EDS mapping, XPS quantitative data (Table S1), galvanostatic charge-discharge measurements, and electrochemical performance comparison with the literature (Table S2). See DOI: 10.1039/c6cp04996fAsif, Muhammad et al. | 2016
- 26854
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Synthesis of a highly efficient 3D graphene–CNT–MnO2–PANI nanocomposite as a binder free electrode material for supercapacitorsAsif, Muhammad / Tan, Yi / Pan, Lujun et al. | 2016
- 26865
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Atomically precise understanding of nanofluids: nanodiamonds and carbon nanotubes in ionic liquidsElectronic Supplementary information (ESI) available: Fig. S1 and Table S1 summarize interaction parameters, which we used to simulate nanoparticles in the present work. See DOI: 10.1039/c6cp04786fChaban, Vitaly V et al. | 2016
- 26865
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Atomically precise understanding of nanofluids: nanodiamonds and carbon nanotubes in ionic liquidsChaban, Vitaly V. / Fileti, Eudes Eterno et al. | 2016
- 26873
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Evidence for dissolved hydrogen in the mixed ionic-electronic conducting perovskites La0.6Sr0.4FeO3-d and SrTi0.7Fe0.3O3-dGrunbacher, M. / Kock, E. M. / Kogler, M. et al. | 2016
- 26873
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Evidence for dissolved hydrogen in the mixed ionic–electronic conducting perovskites La0.6Sr0.4FeO3−δ and SrTi0.7Fe0.3O3−δGrünbacher, Matthia / Köck, Eva-Maria / Kogler, Michaela et al. | 2016
- 26885
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An experimental and theoretical study on the electronic and structural properties of CdSe@TiO2 nanotube arraysFreitas, R. G. / Lucas, F. W. S. / Santanna, M. A. et al. | 2016
- 26885
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An experimental and theoretical study on the electronic and structural properties of CdSe@TiO2 nanotube arraysElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03319aFreitas, R. G et al. | 2016
- 26894
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Emission in Gd6O5F8:Yb3+,Er3+ micro-particles for multimodal luminescence and temperature sensing upon 980 nm excitationDu, Shanshan / Ma, Xinlong / Qiang, Qinping et al. | 2016
- 26900
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Surface functionalized H2Ti3O7 nanowires engineered for visible-light photoswitching, electrochemical water splitting, and photocatalysisSarkar, Ayan / Karmakar, Keshab / Singh, Ashutosh K. et al. | 2016
- 26913
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Under what conditions does (SiO)N nucleation occur? A bottom-up kinetic modelling evaluationElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp03629eBromley, Stefan T et al. | 2016
- 26913
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Under what conditions does (SiO)N nucleation occur? A bottom-up kinetic modelling evaluationBromley, Stefan T. / Gómez Martín, Juan Carlo / Plane, John M. C. et al. | 2016
- 26923
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Complexes of Ni(ii) and Cu(ii) with small peptides: deciding whether to deprotonateDunbar, Robert C. / Martens, Jonathan / Berden, Giel et al. | 2016
- 26923
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Complexes of Ni(ii) and Cu(ii) with small peptides: deciding whether to deprotonateElectronic supplementary information (ESI) available: 1. Full citation for Frisch et al., ref. 83. 2. Comparative structure plots for Ni(ii) and Cu(ii) complexes discussed in the text (PDF). Figure captions noting normal mode characters of diagnostic calculated IR peaks. Enlarged figure plots are provided for the nickel isomeric structures presented in the spectral figures. Coordinates for all the optimized structures mentioned in the paper are available on request from the first author. See DOI: 10.1039/c6cp03974jDunbar, Robert C et al. | 2016
- 26933
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First exploration of freestanding and flexible Na2+2xFe2−x(SO4)3@porous carbon nanofiber hybrid films with superior sodium intercalation for sodium ion batteriesYu, Tiantian / Lin, Bo / Li, Qiufeng et al. | 2016
- 26933
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First exploration of freestanding and flexible Na2+2xFe2−x(SO4)3@porous carbon nanofiber hybrid films with superior sodium intercalation for sodium ion batteriesElectronic supplementary information (ESI) available: Morphology and physical characteristics of the reference sample; Raman spectroscopy of the PCNF; pore size distribution of the hybrid nanofiber; the calculation process of sodium intercalation coefficients based on the GITT results. See DOI: 10.1039/c6cp04958cYu, Tiantian et al. | 2016
- 26942
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Electron transfer across the germanium–polyelectrolyte–gold nanoparticle interface: convenient detection and applications in sensingGhosh, Harekrishna / Bouhekka, Ahmed / Bürgi, Thoma et al. | 2016
- 26942
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Electron transfer across the germanium-polyelectrolyte-gold nanoparticle interface: convenient detection and applications in sensingElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05098kGhosh, Harekrishna et al. | 2016
- 26949
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Investigation on the conversion of ethylene to ethylidyne on Pt(100) and Pd(100) using density functional theoryWang, Yuchun / Dong, Xiuqin / Yu, Yingzhe et al. | 2016
- 26949
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Investigation on the conversion of ethylene to ethylidyne on Pt(100) and Pd(100) using density functional theoryElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04295cWang, Yuchun et al. | 2016
- 26956
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The possible formation of a magnetic FeS2 phase in the two-dimensional MoS2 matrixAntipina, L. Yu. / Kvashnin, A. G. / Sorokin, P. B. et al. | 2016
- 26956
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The possible formation of a magnetic FeS2 phase in the two-dimensional MoS2 matrixElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05065dAntipina, L. Yu et al. | 2016
- 26970
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Theoretical calculation of the vibrational state dependent photodetachment spectra of X−H2O, X = F, Cl, BrPunyain, Wikorn / Takahashi, Kaito et al. | 2016
- 26980
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Infrared spectrum of the cold ortho-fluorinated protonated neurotransmitter 2-phenylethylamine: competition between NH+⋯π and NH+⋯F interactionsSchütz, Marku / Bouchet, Aude / Dopfer, Otto et al. | 2016
- 26980
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Infrared spectrum of the cold ortho-fluorinated protonated neurotransmitter 2-phenylethylamine: competition between NH+p and NH+F interactionsSchutz, M. / Bouchet, A. / Dopfer, O. et al. | 2016
- 26994
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Response to Comment on T. Stauch, A. Dreuw, “Stiff-stilbene photoswitch ruptures bonds not by pulling but by local heating”, Phys. Chem. Chem. Phys., 2016, 18, 15848Stauch, Tim / Dreuw, Andrea et al. | 2016
- 26998
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Correction: Effect of lipid head group interactions on membrane properties and membrane-induced cationic b-hairpin foldingGanesan, S. / Xu, H. / Matysiak, S. et al. | 2016
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Correction: Effect of lipid head group interactions on membrane properties and membrane-induced cationic β-hairpin foldingGanesan, Sai J. / Xu, Hongcheng / Matysiak, Silvina et al. | 2016
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Inside back cover| 2016
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Effects of atomic interaction stiffness on low-temperature relaxation of amorphous solidsElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04238dSun, Y. T et al. | 2016
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Ice nucleation on nanotextured surfaces: the influence of surface fraction, pillar height and wetting statesElectronic supplementary information (ESI) available: Details of the bond-orientational order parameters, the CHILL algorithm, the MFPT method, the phantom-wall algorithm, and additional results of this work. See DOI: 10.1039/c6cp04382hMetya, Atanu K et al. | 2016
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The nature of resonance-assisted hydrogen bonds: a quantum chemical topology perspectiveElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp04386kGuevara-Vela, José Manuel et al. | 2016
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Mechanistic insights into lithium ion battery electrolyte degradation - a quantitative NMR studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05276bWiemers-Meyer, S et al. | 2016
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Structures of the kinetically trapped i-motif DNA intermediatesElectronic supplementary information (ESI) available: A video of the 400 ns MD trajectory during i-motif DNA unfolding and the pdb files of all the candidate structures is provided. See DOI: 10.1039/c6cp04418bGarabedian, Alyssa et al. | 2016
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Steric confinement and enhanced local flexibility assist knotting in simple models of protein foldingElectronic supplementary information (ESI) available. See DOI: 10.1039/c6cp05086gSoler, Miguel A et al. | 2016