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
- 34
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Supported lipid bilayer repair mediated by AH peptideElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp06472dKim, Min Chul et al. | 2016
- 3080
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Strain tuning of the charge density wave in monolayer and bilayer 1T-TaS2Gan, Li-Yong / Zhang, Li-Hong / Zhang, Qingyun et al. | 2016
- 233
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The effect of recombination under short-circuit conditions on the determination of charge transport properties in nanostructured photoelectrodesElectronic supplementary information (ESI) available: Sample preparation, sample measurements, continuity equation solution for 660 nm illumination, comparison between 660 nm, uniform illumination to obtain the real diffusion length, analytical solution for the continuity equation at a steady state, and geometrical constant used to calculate D from slit simulations. See DOI: 10.1039/c5cp06466jAnta, J. A et al. | 2016
- 233
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Amylin-Aβ oligomers at atomic resolution using molecular dynamics simulations: a link between Type 2 diabetes and Alzheimer's diseaseElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp03338aMiller, Yifat et al. | 2016
- 235
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Energy transfer and formation of long-lived 3MLCT states in multimetallic complexes with extended highly conjugated bis-terpyridyl ligandsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp04447bBarthelmes, Kevin et al. | 2016
- 239
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High-pressure stabilization of argon fluoridesThis work celebrates the 170th anniversary of the birth of Zygmunt Wróblewski, an eminent Polish physicist, who with Karol Olszewski was the first to liquefy oxygen and nitrogen.Electronic supplementary information (ESI) available: Computational details, calculated dissociation energies of F2 and KrF2, various ArmFn structures and the pressure dependence of their enthalpy, phonon stability, ArF2 synthesis from NF3 and Ar, comparison of the PBE/HSE06/HSE06+D3 enthalpy-pressure curves, D3 corrections for Ar, F2, ArF2, ArF4, optimized structures in VASP format. See DOI: 10.1039/c5cp05725fZaleski-Ejgierd, Patryk et al. | 2016
- 249
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Relaxation dynamics of helium nanodroplets after photodissociation of a dopant homonuclear diatomic molecule. The case of Cl2@(4He)NElectronic supplementary information (ESI) available: (a) Figures: time evolution of the energy of the nanodroplets, 0-10 ps (Fig. S1); time evolution of the percentage of 4He atoms in the nanodroplets, 0-150 ps (Fig. S2); time evolution of the inverse of the excitation energy per 4He atom for the nanodroplets in the high excitation regime (Fig. S3); time evolution of the excitation energy per 4He atom in the nanodroplets (Fig. S4); helium density for the relaxing nanodroplet with N0 = 100 at two selected times (Fig. S5); time evolution of the energy per 4He atom in the nanodroplets after the B ← X excitation of Cl2 (Fig. S6); time evolution of the energy per 4He atom in the nanodroplets for two different initial times (Fig. S7); time evolution of the inverse of the excitation energy per 4He atom in the nanodroplets for two different initial times (Fig. S8); (b) Movies: time evolution of the helium density for the relaxing nanodroplet with N0 = 100 at low, intermediate and high time intervals (Movies 1-3, respectively); the same as before for N0 = 500 (Movies 4-6, respectively). See DOI: 10.1039/c5cp02679bVilà, Arnau et al. | 2016
- 251
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Design of porous C@Fe3O4 hybrid nanotubes with excellent microwave absorptionElectronic supplementary information (ESI) available: XPS spectra of Fe 2p for porous C@Fe3O4 nanotubes, SEM images of PAN/iron alkoxide nanofibers, flower-like iron alkoxide and PVA/iron alkoxide nanofibers with different reaction time, the relative permeability and permittivity values and 3D representation of the RL of C/Fe3O4 with loadings. See DOI: 10.1039/c5cp06687eXu, Xiaoling et al. | 2016
- 258
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Unconventional CHδ+ N hydrogen bonding interactions in the stepwise solvation of the naphthalene radical cation by hydrogen cyanide and acetonitrile moleculesElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp06502jHilal, Rifaat et al. | 2016
- 268
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Nanocrystalline anatase TiO2/reduced graphene oxide composite films as photoanodes for photoelectrochemical water splitting studies: the role of reduced graphene oxideElectronic supplementary information (ESI) available: Synthesis of reduced graphene oxide and its characterization by XRD, Raman, XPS, TGA, FEG-SEM and HRTEM; characterization of TiO2 and TiO2/RGO films by optical microscopy and UV-vis spectroscopy; electrochemical properties of these films by cyclic voltammetry, chronoamperometry and electrochemical impedance spectroscopy and IPCE analysis. See DOI: 10.1039/c5cp06707cLongo, Claudia et al. | 2016
- 2690
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The effect of Mg2+ incorporation on the structure of calcium carbonate clusters: investigation by the anharmonic downward distortion following methodKawano, Jun / Maeda, Satoshi / Nagai, Takaya et al. | 2016
- 271
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The fabrication of In2O3/In2S3/Ag nanocubes for efficient photoelectrochemical water splittingElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp05833cXu, Rui et al. | 2016
- 273
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Single-molecule insight into Wurtz reactions on metal surfacesElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp06459gMa, Honghong et al. | 2016
- 281
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Reactive symbol sequences for a model of hydrogen combustionElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp05125hAlaghemandi, Mohammad et al. | 2016
- 282
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Conversion of light-energy into molecular strain in the photocycle of the photoactive yellow proteinElectronic supplementary information (ESI) available: Fig. S1-S5 and Movies S1 and S2. See DOI: 10.1039/c5cp05244kGamiz-Hernandez, Ana P et al. | 2016
- 2830
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Growth mechanisms of Pd nanofilms electrodeposited onto Au(111): an in situ grazing incidence X-ray diffraction studySoldo-Olivier, Yvonne / De Santis, Maurizio / Liang, Wang et al. | 2016
- 284
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Alkali subhalides: high-pressure stability and interplay between metallic and ionic bondsElectronic supplementary information (ESI) available: Details on computational methods (ESI 1); structures and phonon dispersion curves for the newly discovered NaxCl compounds (ESI 2); results for NaxCl compounds not shown in the main text (ESI 3); results for alkali subhalides A3Y not shown in the main text (ESI 4); structures and density of states for Na6Bi (ESI 5); structures and density of states for Li5B (ESI 6); B3LYP and M06L results for Imma-Na2Cl (ESI 7). See DOI: 10.1039/c5cp06026eOganov, A. R et al. | 2016
- 2850
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Diverse interface effects on ferroelectricity and magnetoelectric coupling in asymmetric multiferroic tunnel junctions: the role of the interfacial bonding structureLiu, X. T. / Chen, W. J. / Jiang, G. L. et al. | 2016
- 294
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An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cationElectronic supplementary information (ESI) available. CCDC 1426992 and 1426993. Crystal data and structural refinement parameters, the energy of the frontier orbitals and the energy gaps of 2, frontier molecular orbitals, UV-vis, CV, and fluorescence spectra. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5cp06141eHuo, Peng et al. | 2016
- 296
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Optical design of ZnO-based antireflective layers for enhanced GaAs solar cell performanceElectronic supplementary information (ESI) available: SEM image, EDXS, reflectance spectra. See DOI: 10.1039/c5cp06274hKim, Hee Jun et al. | 2016
- 3011
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The van der Waals interactions in rare-gas dimers: the role of interparticle interactionsChen, Yu-Ting / Hui, Kerwin / Chai, Jeng-Da et al. | 2016
- 313
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The new insight into the structure-activity relation of Pd/CeO2-ZrO2-Nd2O3 catalysts by Raman, in situ DRIFTS and XRD Rietveld analysisElectronic supplementary information (ESI) available: The selectivity of N2O formation, the XRD results of CZ samples, and in situ DRIFTS of Pd/CZN12 and Pd/CZ12. See DOI: 10.1039/c5cp06956dLin, J et al. | 2016
- 3023
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On determining the height of the potential barrier at grain boundaries in ion-conducting oxidesKim, Sangtae / Kim, Seong K. / Khodorov, Sergey et al. | 2016
- 324
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Sodium modified molybdenum sulfide via molten salt electrolysis as an anode material for high performance sodium-ion batteriesElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07007dJiao, Shuqiang et al. | 2016
- 325
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Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space methodElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07487hGuo, Meiyuan et al. | 2016
- 326
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Identification of the inhibitory mechanism of FDA approved selective serotonin reuptake inhibitors: an insight from molecular dynamics simulation studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp05771jXue, Weiwei et al. | 2016
- 3280
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A structural model of the chiral “Im3m” cubic phaseSaito, Kazuya / Yamamura, Yasuhisa / Miwa, Yohei et al. | 2016
- 332
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New routes for improving adhesion at the metal/α-Al2O3(0001) interfaceElectronic supplementary information (ESI) available: Structural data of key configurations. See DOI: 10.1039/c5cp06435jThi Le, Ha-Linh et al. | 2016
- 3302
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Correlation between diffusion barriers and alloying energy in binary alloysVej-Hansen, Ulrik Grønbjerg / Rossmeisl, Jan / Stephens, Ifan E. L. et al. | 2016
- 3308
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The fabrication of a novel Ag3VO4/WO3 heterojunction with enhanced visible light efficiency in the photocatalytic degradation of TCYan, Ming / Wu, Yilin / Zhu, Fangfang et al. | 2016
- 3048
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Experimental evidence for the influence of charge on the adsorption capacity of carbon dioxide on charged fullerenesRalser, Stefan / Kaiser, Alexander / Probst, Michael et al. | 2016
- 3056
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Investigation of sodium insertion into tetracyanoquinodimethane (TCNQ): results for a TCNQ thin film obtained by a surface science approachPrecht, R. / Stolz, S. / Mankel, E. et al. | 2016
- 365
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Relationship between vesicle size and steric hindrance influences vesicle rupture on solid supportsElectronic supplementary information (ESI) available: More information is provided about lognormal distribution fit for the DLS data (Fig. S1), kinetic analysis of vesicle adsorption onto silicon oxide (Fig. S2) and the FRAP experiments for lipid assemblies on silicon oxide (Fig. S3). See DOI: 10.1039/c5cp06786cKim, Min Chul et al. | 2016
- 3073
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Aggregation of binary colloidal suspensions on attractive wallsLaganapan, Aleena / Bochicchio, Davide / Bienia, Marguerite et al. | 2016
- 3086
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Flexibility at a glycosidic linkage revealed by molecular dynamics, stochastic modeling, and 13C NMR spin relaxation: conformational preferences of α-l-Rhap-α-(1 → 2)-α-l-Rhap-OMe in water and dimethyl sulfoxide solutionsPendrill, Robert / Engström, Olof / Volpato, Andrea et al. | 2016
- 2253
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Front cover| 2016
- 2254
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Inside front cover| 2016
- 2255
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Contents list| 2016
- 2288
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Cross-linking and postfunctionalization of polymer films by utilizing the orthogonal reactivity of 7,7,8,8-tetracyanoquinodimethaneElectronic supplementary information (ESI) available: Synthesis, 1H NMR, UV-Vis and IR spectra, TGA curves, and visual images of polymer films. See DOI: 10.1039/c5cp05180kWashino, Yusuke et al. | 2016
- 2288
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Cross-linking and postfunctionalization of polymer films by utilizing the orthogonal reactivity of 7,7,8,8-tetracyanoquinodimethaneWashino, Yusuke / Michinobu, Tsuyoshi et al. | 2016
- 2292
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The electronic structure of iridium oxide electrodes active in water splittingPfeifer, V. / Jones, T. E. / Velasco Vélez, J. J. et al. | 2016
- 2297
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Pressure-induced mesoscopic disorder in protic ionic liquids: first computational studyMariani, A. / Caminiti, R. / Campetella, M. et al. | 2016
- 2303
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The effect of recombination under short-circuit conditions on the determination of charge transport properties in nanostructured photoelectrodesVillanueva-Cab, J. / Anta, J. A. / Oskam, G. et al. | 2016
- 2309
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High-pressure stabilization of argon fluoridesKurzydłowski, Dominik / Zaleski-Ejgierd, Patryk et al. | 2016
- 2314
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Distinct structural and dynamical difference between supercooled and normal liquids of hydrogen moleculesHyeon-Deuk, Kim / Ando, Koji et al. | 2016
- 2314
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Distinct structural and dynamical difference between supercooled and normal liquids of hydrogen moleculesElectronic supplementary information (ESI) available: Additional structural and dynamical information on supercooled hydrogen molecules. See DOI: 10.1039/c5cp06615hHyeon-Deuk, Kim et al. | 2016
- 2319
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Gradual plasmon evolution and huge infrared near-field enhancement of metallic bridged nanoparticle dimersHuang, Yu / Ma, Lingwei / Hou, Mengjing et al. | 2016
- 2319
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Gradual plasmon evolution and huge infrared near-field enhancement of metallic bridged nanoparticle dimersElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07185bMa, Lingwei et al. | 2016
- 2324
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Metal adatoms generated by the co-play of melamine assembly and subsequent CO adsorptionWang, Li / Chen, Qiwei / Shi, Hong et al. | 2016
- 2324
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Metal adatoms generated by the co-play of melamine assembly and subsequent CO adsorptionElectronic supplementary information (ESI) available: Additional STM images. Fig. S1. STM images obtained at different biases showing the distinctive morphologies of the second-layer melamine and ABS. Fig. S2. Series of STM images showing bias-dependent morphology of the Au adatoms. Fig. S3. Calculated model showing CO absorbing in melamine pores with flat-lying configuration. See DOI: 10.1039/c5cp05976cShao, Xiang et al. | 2016
- 2330
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Amylin–Aβ oligomers at atomic resolution using molecular dynamics simulations: a link between Type 2 diabetes and Alzheimer's diseaseBaram, Michal / Atsmon-Raz, Yoav / Ma, Buyong et al. | 2016
- 2330
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Amylin-Ab oligomers at atomic resolution using molecular dynamics simulations: a link between Type 2 diabetes and Alzheimer's diseaseBaram, M. / Atsmon-Raz, Y. / Ma, B. et al. | 2016
- 2339
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Anion and cation effects on the size control of Au nanoparticles prepared by sputter deposition in imidazolium-based ionic liquidsHatakeyama, Yoshikiyo / Judai, Ken / Onishi, Kei et al. | 2016
- 2339
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Anion and cation effects on the size control of Au nanoparticles prepared by sputter deposition in imidazolium-based ionic liquidsElectronic supplementary information (ESI) available: This section includes the TEM images, the UV-Vis spectra, the intensities and curve-fitting results of the SAXS profiles, and the densities and viscosities of the ILs used to prepare the AuNPs. See DOI: 10.1039/c5cp04123fNishikawa, Keiko et al. | 2016
- 2350
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Energy transfer and formation of long-lived 3MLCT states in multimetallic complexes with extended highly conjugated bis-terpyridyl ligandsWächtler, Maria / Kübel, Joachim / Barthelmes, Kevin et al. | 2016
- 2361
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Structural variety beyond appearance: high-pressure phases of CrB4 in comparison with FeB4Zhang, Yunkun / Wu, Lailei / Wan, Biao et al. | 2016
- 2361
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Structural variety beyond appearance: high-pressure phases of CrB4 in comparison with FeB4Electronic supplementary information (ESI) available. See DOI: 10.1039/c5cp06745fMao, Ho-kwang et al. | 2016
- 2369
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Dielectric relaxations of polyether-based polyurethanes containing ionic liquids as antistatic agentsTsurumaki, Akiko / Bertasi, Federico / Vezzù, Keti et al. | 2016
- 2379
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Nb and Ta layer doping effects on the interfacial energetics and electronic properties of LaAlO3/SrTiO3 heterostructure: first-principles analysisElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp05100bYang, Kesong et al. | 2016
- 2379
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Nb and Ta layer doping effects on the interfacial energetics and electronic properties of LaAlO3/SrTiO3 heterostructure: first-principles analysisNazir, Safdar / Behtash, Maziar / Cheng, Jianli et al. | 2016
- 2389
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Impact of high-frequency ultrasound on nanocomposite microcapsules: in silico and in situ visualizationKorolovych, V. F. / Grishina, O. A. / Inozemtseva, O. A. et al. | 2016
- 2398
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Molecular signatures in femtosecond laser-induced organic plasmas: comparison with nanosecond laser ablationSerrano, Jorge / Moros, Javier / Javier Laserna, J. et al. | 2016
- 2409
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Relaxation dynamics of helium nanodroplets after photodissociation of a dopant homonuclear diatomic molecule. The case of Cl2@(4He)NVilà, Arnau / González, Miguel / Mayol, Ricardo et al. | 2016
- 2417
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Hydrogen bonding inside and outside carbon nanotubes: HF dimer as a case studyRoztoczyńska, Agnieszka / Kozłowska, Justyna / Lipkowski, Paweł et al. | 2016
- 2428
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Doping liquid crystals with nanoparticles. A computer simulation of the effects of nanoparticle shapeOrlandi, Silvia / Benini, Erika / Miglioli, Isabella et al. | 2016
- 2442
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Playing with isomerism and N substitution in pentalenedione derivatives for organic electrode batteries: how high are the stakes?Tomerini, Daniele / Gatti, Carlo / Frayret, Christine et al. | 2016
- 2449
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Interplay between the hydrophobic effect and dipole interactions in peptide aggregation at interfacesGanesan, Sai J. / Matysiak, Silvina et al. | 2016
- 2459
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Liquid–liquid equilibria of binary mixtures of a lipidic ionic liquid with hydrocarbonsGreen, Blane D. / Badini, Alexander J. / O'Brien, Richard A. et al. | 2016
- 2468
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Optical and surface enhanced Raman scattering properties of Au nanoparticles embedded in and located on a carbonaceous matrixPrakash, Jai / Kumar, Vinod / Kroon, R. E. et al. | 2016
- 2481
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Heterodyne-detected sum frequency generation spectroscopy of polyacrylic acid at the air/water-interfaceBalzerowski, Patrick / Meister, Konrad / Versluis, Jan et al. | 2016
- 2488
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Electrochemical studies of hydrogen chloride gas in several room temperature ionic liquids: mechanism and sensingMurugappan, Krishnan / Silvester, Debbie S. et al. | 2016
- 2495
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Onset potential behavior in a-Fe2O3 photoanodes: the influence of surface and diffusion Sn doping on the surface statesShinde, P. / Choi, S. / Kim, Y. et al. | 2016
- 2495
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Onset potential behavior in α-Fe2O3 photoanodes: the influence of surface and diffusion Sn doping on the surface statesShinde, Pravin S. / Choi, Sun Hee / Kim, Yongsam et al. | 2016
- 2510
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Design of porous C@Fe3O4 hybrid nanotubes with excellent microwave absorptionMeng, Fanbin / Wei, Wei / Chen, Xiangnan et al. | 2016
- 2517
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Towards better understanding of C60 organosolsElectronic supplementary information (ESI) available: Additional details concerning the preparation of solutions, the determination of the critical coagulation concentrations and ESI spectra, the experimental DLS data for the C60 organosols in methanol, DMSO and its mixtures with toluene and acetonitrile, the size distributions and zeta-potentials for the re-charged colloidal species in acetonitrile. Also included are the methods of calculation of the surface charge densities of the colloidal species. See DOI: 10.1039/c5cp06806aKlochkov, Vladimir K et al. | 2016
- 2517
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Towards better understanding of C60 organosolsMchedlov-Petrossyan, Nikolay O. / Kamneva, Nika N. / Al-Shuuchi, Younis T. M. et al. | 2016
- 2527
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Photon management properties of rare-earth (Nd,Yb,Sm)-doped CeO2 films prepared by pulsed laser depositionBalestrieri, Matteo / Colis, Silviu / Gallart, Mathieu et al. | 2016
- 2527
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Photon management properties of rare-earth (Nd,Yb,Sm)-doped CeO2 films prepared by pulsed laser depositionElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp04961jSlaoui, Abdelilah et al. | 2016
- 2535
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An experimental and theoretical study of core–valence double ionisation of acetaldehyde (ethanal)Zagorodskikh, S. / Vapa, M. / Vahtras, O. et al. | 2016
- 2548
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Excitons in poly(para phenylene vinylene): a quantum-chemical perspective based on high-level ab initio calculationsMewes, Stefanie A. / Mewes, Jan-Michael / Dreuw, Andrea et al. | 2016
- 2564
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Fluorescent Ag nanoclusters prepared in aqueous poly(acrylic acid-co-maleic acid) solutions: a spectroscopic study of their excited state dynamics, size and local environmentDandapat, Manika / Mandal, Debabrata et al. | 2016
- 2574
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Charge mobility induced by Brownian fluctuations in p-conjugated polymers in solutionPoole, J. / Damry, D. / Tozer, O. et al. | 2016
- 2574
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Charge mobility induced by Brownian fluctuations in π-conjugated polymers in solutionPoole, Jessica Ellen / Damry, Djamshid Ahmud / Tozer, Oliver Robert et al. | 2016
- 2580
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Unconventional CHd+N hydrogen bonding interactions in the stepwise solvation of the naphthalene radical cation by hydrogen cyanide and acetonitrile moleculesPlatt, S. / Attah, I. / El-Shall, M. S. et al. | 2016
- 2580
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Unconventional CHδ+⋯N hydrogen bonding interactions in the stepwise solvation of the naphthalene radical cation by hydrogen cyanide and acetonitrile moleculesPlatt, Sean P. / Attah, Isaac K. / El-Shall, M. S. et al. | 2016
- 2591
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The thermodynamics of endosomal escape and DNA release from lipoplexesAvital, Yotam Y. / Grønbech-Jensen, Niel / Farago, Oded et al. | 2016
- 2597
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Urea hydration from dielectric relaxation spectroscopy: old findings confirmed, new insights gainedAgieienko, Vira / Buchner, Richard et al. | 2016
- 2608
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Nanocrystalline anatase TiO2/reduced graphene oxide composite films as photoanodes for photoelectrochemical water splitting studies: the role of reduced graphene oxideMorais, Andreia / Longo, Claudia / Araujo, Joyce R. et al. | 2016
- 2617
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Interactions in the ionic liquid [EMIM][FAP]: a coupled experimental and computational analysisVoroshylova, Iuliia V. / Teixeira, Filipe / Costa, Renata et al. | 2016
- 2629
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Contrasting ring-opening propensities in UV-excited a-pyrone and coumarinMurdock, D. / Ingle, R. / Sazanovich, I. et al. | 2016
- 2629
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Contrasting ring-opening propensities in UV-excited α-pyrone and coumarinMurdock, Daniel / Ingle, Rebecca A. / Sazanovich, Igor V. et al. | 2016
- 2639
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Effects of Ga–Te interface layer on the potential barrier height of CdTe/GaAs heterointerfaceXi, Shouzhi / Jie, Wanqi / Zha, Gangqiang et al. | 2016
- 2646
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Localised and delocalised excitons in star-like squaraine homo- and heterotrimersCeymann, Harald / Balkenhohl, Moritz / Schmiedel, Alexander et al. | 2016
- 2658
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A slowing down of proton motion from HPTS to water adsorbed on the MCM-41 surfaceAlarcos, Noemí / Cohen, Boiko / Douhal, Abderrazzak et al. | 2016
- 2672
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Effect of strong phonon–phonon coupling on the temperature dependent structural stability and frequency shift of 2D hexagonal boron nitrideAnees, P. / Valsakumar, M. C. / Panigrahi, B. K. et al. | 2016
- 2682
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Solvent transport through hard–soft segmented polymer nanocompositesRath, Sangram K. / Edatholath, Saji S. / Patro, T. Umasankar et al. | 2016
- 2699
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CO2 adsorption–desorption performance of mesoporous zirconium hydroxide with robust water durabilityKamimura, Y. / Endo, A. et al. | 2016
- 2710
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The fabrication of In2O3/In2S3/Ag nanocubes for efficient photoelectrochemical water splittingXu, Rui / Li, Haohua / Zhang, Wenwen et al. | 2016
- 2718
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Synergistic effect of novel redox additives of p-nitroaniline and dimethylglyoxime for highly improving the supercapacitor performancesNie, Yong Fu / Wang, Qian / Chen, Xiang Ying et al. | 2016
- 2730
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Single-molecule insight into Wurtz reactions on metal surfacesSun, Qiang / Cai, Liangliang / Ding, Yuanqi et al. | 2016
- 2736
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Structure prediction of the solid forms of methanol: an ab initio random structure searching approachLin, Tzu-Jen / Hsing, Cheng-Rong / Wei, Ching-Ming et al. | 2016
- 2747
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Effect of the electric field during annealing of organic light emitting diodes for improving its on/off ratioSharma, Rahul K. / Katiyar, Monica / Rao, I. V. Kameshwar et al. | 2016
- 2747
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Effect of the electric field during annealing of organic light emitting diodes for improving its on/off ratioElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp06637aSharma, Rahul K et al. | 2016
- 2756
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Mixtures of the 1-ethyl-3-methylimidazolium acetate ionic liquid with different inorganic salts: insights into their interactionsOliveira, Filipe S. / Cabrita, Eurico J. / Todorovic, Smilja et al. | 2016
- 2767
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Hydrogen-bonding and vibrational coupling of water in a hydrophobic hydration shell as observed by Raman-MCR and isotopic dilution spectroscopyAhmed, Mohammed / Singh, Ajay K. / Mondal, Jahur A. et al. | 2016
- 2767
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Hydrogen-bonding and vibrational coupling of water in a hydrophobic hydration shell as observed by Raman-MCR and isotopic dilution spectroscopyElectronic supplementary information (ESI) available: Global analysis of the OH stretch bands of different isotopically diluted water and SC-spectra in the OH stretch region. See DOI: 10.1039/c5cp07014gAhmed, Mohammed et al. | 2016
- 2776
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Kinetics stabilized doping: computational optimization of carbon-doped anatase TiO2 for visible-light driven water splittingSun, Yi-Yang / Zhang, Shengbai et al. | 2016
- 2784
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Carbon monoxide oxidation catalysed by defective palladium chloride: DFT calculations, EXAFS, and in situ DRIRS measurementsLi, Qiaohong / Qiao, Luyang / Chen, Ruiping et al. | 2016
- 2792
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Unexpectedly large impact of van der Waals interactions on the description of heterogeneously catalyzed reactions: the water gas shift reaction on Cu(321) as a case examplePrats, Hèctor / Gamallo, Pablo / Sayós, Ramón et al. | 2016
- 2802
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Conversion of light-energy into molecular strain in the photocycle of the photoactive yellow proteinGamiz-Hernandez, Ana P. / Kaila, Ville R. I. et al. | 2016
- 2810
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Reactive symbol sequences for a model of hydrogen combustionAlaghemandi, Mohammad / Green, Jason R. et al. | 2016
- 2815
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Resonant multiphoton ionisation probe of the photodissociation dynamics of ammoniaSmith, Adam D et al. | 2016
- 2818
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Complex doping chemistry owing to Mn incorporation in nanocrystalline anatase TiO2 powdersGuo, Meilan / Gao, Yun et al. | 2016
- 2840
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Alkali subhalides: high-pressure stability and interplay between metallic and ionic bondsSaleh, G. / Oganov, A. R. et al. | 2016
- 2859
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Influence of sumanene modifications with boron and nitrogen atoms to its hydrogen adsorption propertiesArmaković, Stevan / Armaković, Sanja J. / Pelemiš, Svetlana et al. | 2016
- 2871
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Molecular recognition of naphthalene diimide ligands by telomeric quadruplex-DNA: the importance of the protonation state and mediated hydrogen bondsSpinello, A. / Barone, G. / Grunenberg, J. et al. | 2016
- 2878
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Enhanced photocatalytic performance of an Ag3PO4 photocatalyst via fullerene modification: first-principles studyLuo, Cai-Yun / Huang, Wei-Qing / Xu, Liang et al. | 2016
- 2887
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The nature of chemical bonding in actinide and lanthanide ferrocyanides determined by X-ray absorption spectroscopy and density functional theoryDumas, Thoma / Guillaumont, Dominique / Fillaux, Clara et al. | 2016
- 2896
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Pore orientation effects on the kinetics of mesostructure loss in surfactant templated titania thin filmsDas, Saikat / Nagpure, Suraj / Garlapalli, Ravinder K. et al. | 2016
- 2906
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Optical design of ZnO-based antireflective layers for enhanced GaAs solar cell performanceLee, Hye Jin / Lee, Jae Won / Kim, Hee Jun et al. | 2016
- 2913
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Intensified effects of multi-Cu modification on the electronic properties of the modified base pairs containing hetero-ring-expanded pyrimidine basesElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp06133dBu, Yuxiang et al. | 2016
- 2913
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Intensified effects of multi-Cu modification on the electronic properties of the modified base pairs containing hetero-ring-expanded pyrimidine basesLu, Nan / Bu, Yuxiang / Wang, Huatian et al. | 2016
- 2924
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Charge distribution and Fermi level in bimetallic nanoparticlesHolmberg, Nico / Laasonen, Kari / Peljo, Pekka et al. | 2016
- 2924
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Charge distribution and Fermi level in bimetallic nanoparticlesElectronic supplementary information (ESI) available: Details of the computational methods, additional results as tables and figures, more comprehensive theory of contact electrification. See DOI: 10.1039/c5cp07116jLaasonen, Kari et al. | 2016
- 2932
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Evolution of domains and grain boundaries in graphene: a kinetic Monte Carlo simulationZhuang, Jianing / Zhao, Ruiqi / Dong, Jichen et al. | 2016
- 2932
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Evolution of domains and grain boundaries in graphene: a kinetic Monte Carlo simulationElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp07142aDong, Jichen et al. | 2016
- 2940
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An ionic charge-transfer dyad prepared cost-effectively from a tetrathiafulvalene carboxylate anion and a TMPyP cationXue, Li-Jun / Huo, Peng / Li, Yan-Hong et al. | 2016
- 2949
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Implications of boron doping on electrocatalytic activities of graphyne and graphdiyne families: a first principles studyDas, Bikram Kumar / Sen, Dipayan / Chattopadhyay, K. K. et al. | 2016
- 2959
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X-ray absorption spectroscopy of lithium insertion and de-insertion in copper birnessite nanoparticle electrodesPelliccione, Christopher J. / Li, Yue Ru / Marschilok, Amy C. et al. | 2016
- 2959
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X-ray absorption spectroscopy of lithium insertion and de-insertion in copper birnessite nanoparticle electrodesElectronic supplementary information (ESI) available: Full XAS fitting results. See DOI: 10.1039/c5cp05926gLi, Yue Ru et al. | 2016
- 2968
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Mechanisms and energetics for N-glycosidic bond cleavage of protonated 2′-deoxyguanosine and guanosineWu, R. R. / Chen, Yu / Rodgers, M. T. et al. | 2016
- 2968
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Mechanisms and energetics for N-glycosidic bond cleavage of protonated 2prime-deoxyguanosine and guanosineWu, R. R. / Chen, Y. / Rodgers, M. T. et al. | 2016
- 2981
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Fluorescent DNA probes at liquid/liquid interfaces studied by surface second harmonic generationLicari, Giuseppe / Brevet, Pierre-Françoi / Vauthey, Eric et al. | 2016
- 2993
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Flexibility and conformation of the cocaine aptamer studied by PELDORGrytz, C. M. / Marko, A. / Cekan, P. et al. | 2016
- 3003
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Global optimization of clusters of rigid molecules using the artificial bee colony algorithmZhang, Jun / Dolg, Michael et al. | 2016
- 3032
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New routes for improving adhesion at the metal/α-Al2O3(0001) interfaceCavallotti, Rémi / Thi Le, Ha-Linh / Goniakowski, Jacek et al. | 2016
- 3032
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New routes for improving adhesion at the metal/a-Al2O3(0001) interfaceCavallotti, R. / ThiLe, H. L. / Goniakowski, J. et al. | 2016
- 3040
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Supported lipid bilayer repair mediated by AH peptideKim, Min Chul / Gunnarsson, Ander / Tabaei, Seyed R. et al. | 2016
- 3065
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Relationship between vesicle size and steric hindrance influences vesicle rupture on solid supportsJackman, Joshua A. / Kim, Min Chul / Zhdanov, Vladimir P. et al. | 2016
- 3086
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Flexibility at a glycosidic linkage revealed by molecular dynamics, stochastic modeling, and 13C NMR spin relaxation: conformational preferences of a-L-Rhap-a-(1 2)-a-L-Rhap-OMe in water and dimethyl sulfoxide solutionsPendrill, R. / Engstrom, O. / Volpato, A. et al. | 2016
- 3097
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Structural and electronic properties of ZnO/GaN heterostructured nanowires from first-principles studyZhang, Yang / Fang, Dang-Qi / Zhang, Sheng-Li et al. | 2016
- 3103
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The new insight into the structure–activity relation of Pd/CeO2–ZrO2–Nd2O3 catalysts by Raman, in situ DRIFTS and XRD Rietveld analysisYang, X. / Yang, L. / Lin, J. et al. | 2016
- 3112
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Theoretical analysis of NMR shieldings in XSe and XTe (X = Si, Ge, Sn and Pb): the spin-rotation constant sagaDemissie, Taye Beyene et al. | 2016
- 3124
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Reducing the V2O3(0001) surface through electron bombardment – a quantitative structure determination with I/V-LEEDFeiten, Felix E. / Kuhlenbeck, Helmut / Freund, Hans-Joachim et al. | 2016
- 3131
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Anti-icing properties of a superhydrophobic surface in a salt environment: an unexpected increase in freezing delay times for weak brine dropletsBoinovich, Ludmila B. / Emelyanenko, Alexandre M. / Emelyanenko, Kirill A. et al. | 2016
- 3137
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Titanate cathodes with enhanced electrical properties achieved via growing surface Ni particles toward efficient carbon dioxide electrolysisGan, Lizhen / Ye, Lingting / Tao, Shanwen et al. | 2016
- 3144
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Nitrogenated, phosphorated and arsenicated monolayer holey graphenesYagmurcukardes, Mehmet / Horzum, Seyda / Torun, Engin et al. | 2016
- 3151
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Paramagnetic spherical nanoparticles by the self-assembly of persistent trityl radicalsMarin-Montesinos, I. / Paniagua, J. C. / Peman, Alejandro et al. | 2016
- 3159
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Electric-field and strain-tunable electronic properties of MoS2/h-BN/graphene vertical heterostructuresZan, Wenyan / Geng, Wei / Liu, Huanxiang et al. | 2016
- 3165
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Photodissociation dynamics of ICH2Cl → CH2Cl + I*/I: photofragment translational spectroscopy at 304 and 277 nmCheng, Min / Lin, Dan / Hu, Lili et al. | 2016
- 3173
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“Doping” pentacene with sp2-phosphorus atoms: towards high performance ambipolar semiconductorsLong, Guankui / Yang, Xuan / Chen, Wangqiao et al. | 2016
- 3173
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"Doping" pentacene with sp2-phosphorus atoms: towards high performance ambipolar semiconductorsElectronic supplementary information (ESI) available: Detailed calculation methods and the summary of the calculated results. See DOI: 10.1039/c5cp06200dLong, Guankui et al. | 2016
- 3179
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Intrinsic coordination for revealing local structural changes in protein folding–unfoldingShiu, Ying-Jen / Hayashi, Michitoshi / Shih, Orion et al. | 2016
- 3188
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Switchable self-assembly of Prussian blue analogs nano-tiles triggered by salt stimulusDedovets, D. / Bauduin, P. / Causse, J. et al. | 2016
- 3197
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Temperature dependent radiative and non-radiative recombination dynamics in CdSe–CdTe and CdTe–CdSe type II hetero nanoplateletsScott, Riccardo / Kickhöfel, Sebastian / Schoeps, Oliver et al. | 2016
- 3204
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Sodium modified molybdenum sulfide via molten salt electrolysis as an anode material for high performance sodium-ion batteriesWang, Shuai / Tu, Jiguo / Yuan, Yan et al. | 2016
- 3214
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Photoelectron diffraction in methane probed via vibrationally resolved inner-valence photoionization cross-section ratiosNandi, Saikat / Plésiat, Etienne / Patanen, Minna et al. | 2016
- 3223
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Multifunctional biosensors based on peptide–polyelectrolyte conjugatesKogikoski, S. / Sousa, C. P. / Liberato, M. S. et al. | 2016
- 3234
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The role of hydrogen during Pt–Ga nanocatalyst formationFilez, Matthia / Redekop, Evgeniy A. / Galvita, Vladimir V. et al. | 2016
- 3234
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The role of hydrogen during Pt-Ga nanocatalyst formationElectronic supplementary information (ESI) available: Ga K edge XANES quantitative peak fitting analysis procedure, Ga K edge EXAFS modeling of Pt/Mg(Ga)(Al)Ox before H2 TPR, possible Ga-H bond formation and Ga coordination change and their influence on the Ga K edge XANES edge, Ga K edge XANES reference spectra, TAP experimental details and data analysis procedure, XANES during H2 TPR to 750 °C on a physical mixture of Pt/Mg(Al)Ox and Mg(Ga)(Al)Ox. See DOI: 10.1039/c5cp07344hTurner, Stuart et al. | 2016
- 3244
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A very rapid electronic relaxation process in a highly conjugated Zn(ii)porphyrin–[26]hexaphyrin–Zn(ii)porphyrin hybrid tapeLee, Sangsu / Mori, Hirotaka / Lee, Taegon et al. | 2016
- 3250
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Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space methodGuo, Meiyuan / Sørensen, Lasse Kragh / Delcey, Mickaël G. et al. | 2016
- 3260
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Identification of the inhibitory mechanism of FDA approved selective serotonin reuptake inhibitors: an insight from molecular dynamics simulation studyXue, Weiwei / Wang, Panpan / Li, Bo et al. | 2016
- 3272
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Phase diagrams for clathrate hydrates of methane, ethane, and propane from first-principles thermodynamicsCao, Xiaoxiao / Huang, Yingying / Li, Wenbo et al. | 2016
- 3285
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Controllable defluorination of fluorinated graphene and weakening of C–F bonding under the action of nucleophilic dipolar solventWang, Xu / Wang, Weimiao / Liu, Yang et al. | 2016
- 3294
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Shape selective properties of the Al-fumarate metal–organic framework in the adsorption and separation of n-alkanes, iso-alkanes, cyclo-alkanes and aromatic hydrocarbonsBozbiyik, Belgin / Lannoeye, Jeroen / De Vos, Dirk E. et al. | 2016
- 3316
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The thickness-dependent band gap and defect features of ultrathin ZrO2 films studied by spectroscopic ellipsometryXu, Ji-Ping / Zhang, Rong-Jun / Zhang, Yuan et al. | 2016
- 3322
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The CO oxidation mechanism on the W(111) surface and the W helical nanowire investigated by the density functional theory calculationLin, Ken-Huang / Ju, Shin-Pon / Li, Jia-Yun et al. | 2016
- 3331
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Oxygen-doped porous silicon carbide spheres as electrode materials for supercapacitorsKim, Myeongjin / Ju, Hyun / Kim, Jooheon et al. | 2016
- 3339
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Azoniaspiro salts: towards bridging the gap between room-temperature ionic liquids and molten saltsElectronic supplementary information (ESI) available. CCDC 978072 and 1434098. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c5cp07209cClough, Matthew T et al. | 2016
- 3339
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Azoniaspiro salts: towards bridging the gap between room-temperature ionic liquids and molten saltsClough, Matthew T. / Geyer, Karolin / Hunt, Patricia A. et al. | 2016
- 3352
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Optimization of second harmonic generation of gold nanospheres and nanorods in aqueous solution: the dominant role of surface areaNgo, Hoang Minh / Nguyen, Phuong Phong / Ledoux-Rak, Isabelle et al. | 2016
- 3352
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Optimization of second harmonic generation of gold nanospheres and nanorods in aqueous solution: the dominant role of surface areaElectronic supplementary information (ESI) available: Characterization of nanoparticles such as analysis of the UV-Vis absorbance spectra, the measurement of SHG from AuNPs; nonlinear optical (NLO) properties of various AuNPs. See DOI: 10.1039/c5cp06850aLedoux-Rak, Isabelle et al. | 2016
- 3357
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Correction: Towards the rationalization of catalytic activity values by means of local hyper-softness on the catalytic site: a criticism about the use of net electric chargesMartínez-Araya, Jorge Ignacio / Grand, André / Glossman-Mitnik, Daniel et al. | 2016
- 3358
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Correction: Design and characterisation of bodipy sensitizers for dye-sensitized NiO solar cellsSummers, Gareth H. / Lefebvre, Jean-Françoi / Black, Fiona A. et al. | 2016
- 3359
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Correction: The impact of doping rates on the morphologies of silver and gold nanowires grown in helium nanodropletsVolk, Alexander / Thaler, Philipp / Knez, Daniel et al. | 2016
- 3361
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Inside back cover| 2016
- 3362
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Back cover| 2016
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Structural and electronic properties of ZnO/GaN heterostructured nanowires from first-principles studyElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp06564jZhang, Yang et al. | 2016
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Onset potential behavior in α-Fe2O3 photoanodes: the influence of surface and diffusion Sn doping on the surface statesElectronic supplementary information (ESI) available: Tables S1-S3, synchrotron XRD, FESEM, survey XPS spectra, EXAFS, and UV-vis spectroscopy. See DOI: 10.1039/c5cp06669gShinde, Pravin S et al. | 2016
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Shape selective properties of the Al-fumarate metal-organic framework in the adsorption and separation of n-alkanes, iso-alkanes, cyclo-alkanes and aromatic hydrocarbonsElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp06342fLannoeye, Jeroen et al. | 2016
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Global optimization of clusters of rigid molecules using the artificial bee colony algorithmElectronic supplementary information (ESI) available: The force field parameters of the molecules considered in this work. See DOI: 10.1039/c5cp06313bDolg, Michael et al. | 2016
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CO2 adsorption-desorption performance of mesoporous zirconium hydroxide with robust water durabilityElectronic supplementary information (ESI) available. See DOI: 10.1039/c5cp05211dEndo, A et al. | 2016
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Mechanisms and energetics for N-glycosidic bond cleavage of protonated 2′-deoxyguanosine and guanosineElectronic supplementary information (ESI) available: Additional details regarding the data handling and thermochemical analysis procedures. Vibrational frequencies, average internal energies and rotational constants of the protonated nucleosides, [dGuo+H]+ and [Guo+H]+ as well as all species along the dissociation pathways for N-glycosidic bond cleavage. Proposed chemical compositions of the fragments of sequential dissociation of [dGuo-Gua+H]+ and [Guo-Gua+H]+. Fitting parameters using eqn (1) and (2) for threshold analyses for N-glycosidic bond cleavage reactions (3) and (4) of [dGuo+H]+ and [Guo+H]+. Enthalpies and free energies for the N-glycosidic bond cleavage of [dGuo+H]+ and [Guo+H]+ at 0 and 298 K. The most stable N7, O6 and N3 protonated structures of [dGuo+H]+ and [Guo+H]+ with their relative energetics. See DOI: 10.1039/c5cp05738hWu, R. R et al. | 2016