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
- 20293
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Front cover| 2017
- 20294
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Inside front cover| 2017
- 20295
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Contents list| 2017
- 20320
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Commensurate–incommensurate adsorption and diffusion in ordered crystalline microporous materialsKrishna, Rajamani / van Baten, Jasper M. et al. | 2017
- 20338
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A reaction model on the self-assembly process of octahedron-shaped coordination capsulesMatsumura, Yoshihiro / Hiraoka, Shuichi / Sato, Hirofumi et al. | 2017
- 20343
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Fingerprints of inter- and intramolecular hydrogen bonding in saligenin–water clusters revealed by mid- and far-infrared spectroscopyBakker, Daniël J. / Dey, Arghya / Tabor, Daniel P. et al. | 2017
- 20357
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Deciphering the aqueous chemistry of glyoxal oxidation with hydrogen peroxide using molecular imagingSui, Xiao / Zhou, Yufan / Zhang, Fei et al. | 2017
- 20367
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Explicit consideration of spatial hydrogen bonding direction for activity coefficient prediction based on implicit solvation calculationsChen, Wei-Lin / Lin, Shiang-Tai et al. | 2017
- 20377
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Self-assembled nanocapsules in water: a molecular mechanistic studyXiao, Hang / Shi, Xiaoyang / Chen, Xi et al. | 2017
- 20383
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Accurate determination of the charge transfer efficiency of photoanodes for solar water splittingKlotz, Dino / Grave, Daniel A. / Rothschild, Avner et al. | 2017
- 20393
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On the capacitance of narrow nanotubesSchmickler, Wolfgang / Henderson, Dougla et al. | 2017
- 20401
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Geometric and electronic properties of Si-atom doped Al clusters: robustness of binary superatoms against chargingAkutsu, Minoru / Koyasu, Kiichirou / Atobe, Junko et al. | 2017
- 20412
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Selective molecular annealing: in situ small angle X-ray scattering study of microwave-assisted annealing of block copolymersToolan, Daniel T. W. / Adlington, Kevin / Isakova, Anna et al. | 2017
- 20420
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Ionic diffusion and proton transfer in aqueous solutions of alkali metal saltsCassone, Giuseppe / Creazzo, Fabrizio / Giaquinta, Paolo V. et al. | 2017
- 20430
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Aqueous ionic liquids and their influence on peptide conformations: denaturation and dehydration mechanismsDiddens, Diddo / Lesch, Volker / Heuer, Andrea et al. | 2017
- 20441
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Comparison of the catalytic activity for O2 reduction of Fe and Co MN4 adsorbed on graphite electrodes and on carbon nanotubesVenegas, Ricardo / Recio, Francisco J. / Zuñiga, Cesar et al. | 2017
- 20451
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Spin dependent interactions catalyse the oxygen electrochemistryGracia, J. et al. | 2017
- 20457
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Monolayer germanium monochalcogenides (GeS/GeSe) as cathode catalysts in nonaqueous Li–O2 batteriesJi, Yujin / Dong, Huilong / Yang, Mingye et al. | 2017
- 20463
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Insights into the limitations of solar cells sensitized with ruthenium dyes revealed in time-resolved spectroscopy studiesGierszewski, Mateusz / Grądzka, Iwona / Glinka, Adam et al. | 2017
- 20474
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Evidence for cooperative Na+ and Cl− binding by strongly hydrated l-prolineDmitrieva, Olga A. / Fedotova, Marina V. / Buchner, Richard et al. | 2017
- 20484
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Infrared spectra and anharmonic coupling of proton-bound nitrogen dimers N2–H+–N2, N2–D+–N2, and 15N2–H+–15N2 in solid para-hydrogenLiao, Hsin-Yi / Tsuge, Masashi / Tan, Jake A. et al. | 2017
- 20493
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Lithium dendrite growth mechanisms in polymer electrolytes and prevention strategiesBarai, Pallab / Higa, Kenneth / Srinivasan, Venkat et al. | 2017
- 20506
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Surface hydration drives rapid water imbibition into strongly hydrophilic nanoporesFang, Chao / Qiao, Rui et al. | 2017
- 20513
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Dithieno[3,2-b:2′,3′-d]pyrrole-benzo[c][1,2,5]thiadiazole conjugate small molecule donors: effect of fluorine content on their photovoltaic propertiesBusireddy, Manohar Reddy / Chereddy, Narendra Reddy / Shanigaram, Balaiah et al. | 2017
- 20513
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Dithieno[3,2-b:2prime,3prime-d]pyrrole-benzo[c][1,2,5]thiadiazole conjugate small molecule donors: effect of fluorine content on their photovoltaic propertiesBusireddy, M. / Chereddy, N. / Shanigaram, B. et al. | 2017
- 20523
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The amorphous state: first-principles derivation of the Gordon–Taylor equation for direct prediction of the glass transition temperature of mixtures; estimation of the crossover temperature of fragile glass formers; physical basis of the “Rule of 2/3”Skrdla, Peter J. / Floyd, Philip D. / Dell’Orco, Philip C. et al. | 2017
- 20533
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Photosensitization mechanism of Cu(ii) porphyrinsUranga, Jon / Matxain, Jon M. / Lopez, Xabier et al. | 2017
- 20541
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Growth study of hierarchical Ag3PO4/LaCO3OH heterostructures and their efficient photocatalytic activity for RhB degradationDeonikar, Virendrakumar G. / Patil, Santosh S. / Tamboli, Mohaseen S. et al. | 2017
- 20551
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Energetics and diffusion of liquid water and hydrated ions through nanopores in graphene: ab initio molecular dynamics simulationGuerrero-Avilés, Raúl / Orellana, Walter et al. | 2017
- 20559
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How side chains affect conformation and electrical properties of poly(acrylic acid) in solution?Zhou, Xinlu / Zhao, Kongshuang et al. | 2017
- 20573
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Solvent-gated thin-film-transistorsManoli, Kyriaki / Seshadri, Preethi / Singh, Mandeep et al. | 2017
- 20582
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Non-invasively improving the Schottky barriers of metal–MoS2 interfaces: effects of atomic vacancies in a BN buffer layerSu, Jie / Feng, Liping / Liu, Siyang et al. | 2017
- 20593
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Developing force fields when experimental data is sparse: AMBER/GAFF-compatible parameters for inorganic and alkyl oxoanionsKashefolgheta, S. / VilaVerde, A. et al. | 2017
- 20608
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A comparative VUV absorption mass-spectroscopy study on protonated peptides of different sizeEgorov, D. / Hoekstra, R. / Schlathölter, T. et al. | 2017
- 20619
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Tuning the gap of lead-based halide perovskites by introducing superalkali species at the cationic sites of ABX3-type structurePaduani, C. / Rappe, Andrew M. et al. | 2017
- 20627
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Effect of substrate concentrations on the aggregation behavior and dynamic oscillatory properties of self-oscillating block copolymersTamate, Ryota / Ueki, Takeshi / Shibayama, Mitsuhiro et al. | 2017
- 20635
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A model for the effect of bulk liquid viscosity on cavitation bubble dynamicsShen, Yang / Yasui, Kyuichi / Zhu, Tong et al. | 2017
- 20641
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Concerted transfer of multiple protons in acid–water clusters: [(HCl)(H2O)]2 and [(HF)(H2O)]4Zakai, I. / Varner, M. E. / Gerber, R. B. et al. | 2017
- 20647
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Modulation of in:out and out:out conformations in [X.X′.X′′] phosphatranes by Lewis acidsSánchez-Sanz, Goar / Trujillo, Cristina / Alkorta, Ibon et al. | 2017
- 20647
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Modulation of in:out and out:out conformations in [X.Xprime.Xprimeprime] phosphatranes by Lewis acidsSanchez-Sanz, G. / Trujillo, C. / Alkorta, I. et al. | 2017
- 20657
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Accurate prediction of energetic properties of ionic liquid clusters using a fragment-based quantum mechanical methodLiu, Jinfeng / He, Xiao et al. | 2017
- 20667
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Fluorination-enriched electronic and magnetic properties in graphene nanoribbonsNguyen, Duy Khanh / Lin, Yu-Tsung / Lin, Shih-Yang et al. | 2017
- 20677
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Ultra low lattice thermal conductivity and high carrier mobility of monolayer SnS2 and SnSe2: a first principles studyShafique, Aamir / Samad, Abdu / Shin, Young-Han et al. | 2017
- 20684
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Hybrid density functional theory modeling of Ca, Zn, and Al ion batteries using the Chevrel phase Mo6S8 cathodeJuran, Taylor R. / Smeu, Manuel et al. | 2017
- 20691
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The nature of intermolecular interactions in pyridinium–anion–β-hexachlorocyclohexane molecular crystalsGrosu, I. G. / Rednic, M. I. / Miclăuş, M. et al. | 2017
- 20691
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The nature of intermolecular interactions in pyridinium-anion-b-hexachlorocyclohexane molecular crystalsGrosu, I. G. / Rednic, M. I. / Miclaus, M. et al. | 2017
- 20699
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Ferromagnetic resonance of NiCoFe2O4 nanoparticles and microwave absorption properties of flexible NiCoFe2O4–carbon black/poly(vinyl alcohol) compositesDatt, Gopal / Kotabage, Chetan / Abhyankar, A. C. et al. | 2017
- 20713
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The adsorption and diffusion behavior of noble metal adatoms (Pd, Pt, Cu, Ag and Au) on a MoS2 monolayer: a first-principles studyWu, Ping / Yin, Naiqiang / Li, Peng et al. | 2017
- 20723
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Combining EPR spectroscopy and X-ray crystallography to elucidate the structure and dynamics of conformationally constrained spin labels in T4 lysozyme single crystalsConsentius, Philipp / Gohlke, Ulrich / Loll, Bernhard et al. | 2017
- 20735
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Au cluster adsorption on perfect and defective MoS2 monolayers: structural and electronic propertiesJu, Weiwei / Li, Tongwei / Su, Xiangying et al. | 2017
- 20749
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Transport of water molecules through noncylindrical pores in multilayer nanoporous grapheneShahbabaei, Majid / Kim, Daejoong et al. | 2017
- 20760
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Pyranose ring conformations in mono- and oligosaccharides: a combined MD and DFT approachGaweda, Karolina / Plazinski, Wojciech et al. | 2017
- 20773
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Concave binding of cationic Li to quadrannuleneDang, Jing-Shuang / Wang, Wei-Wei / Zhao, Xiang et al. | 2017
- 20778
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Diffusion Monte Carlo study of excitons and biexcitons in a mass-asymmetric electron–hole bilayerSharma, Rajesh O. / Saini, L. K. / Bahuguna, Bhagwati Prasad et al. | 2017
- 20786
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A kinetic study of the CH2OO Criegee intermediate reaction with SO2, (H2O)2, CH2I2 and I atoms using OH laser induced fluorescenceLiu, Yiqiang / Liu, Fenghua / Liu, Siyue et al. | 2017
- 20795
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Silver–gold alloy nanoparticles as tunable substrates for systematic control of ion-desorption efficiency and heat transfer in surface-assisted laser desorption/ionizationLai, Samuel Kin-Man / Cheng, Yu-Hong / Tang, Ho-Wai et al. | 2017
- 20808
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Initiation of wetting, filmwise condensation and condensate drainage from a surface in a gravity fieldYaghoubian, Sima / Ward, C. A. et al. | 2017
- 20818
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The correspondence between the conformational and chromophoric properties of amorphous conjugated polymers in mesoscale condensed systemsWang, Chun I / Hsu, Chih H. / Hua, Chi C. et al. | 2017
- 20829
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Distinct solvent- and temperature-dependent packing arrangements of anti-parallel b-sheet polyalanines studied with solid-state 13C NMR and MD simulationKametani, S. / Tasei, Y. / Nishimura, A. et al. | 2017
- 20829
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Distinct solvent- and temperature-dependent packing arrangements of anti-parallel β-sheet polyalanines studied with solid-state 13C NMR and MD simulationKametani, Shunsuke / Tasei, Yugo / Nishimura, Akio et al. | 2017
- 20839
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Impedance investigation of the highly efficient polymer solar cells with composite CuBr2/MoO3 hole transport layerLi, Zhiqi / Guo, Wenbin / Liu, Chunyu et al. | 2017
- 20847
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A comparative study of the influence of N,Nprime-dialkyl vs. N,Nprime-diaryl-based electron donor ancillary ligands on photocurrent and photovoltage in dye-sensitized solar cells (DSSCs)Ashraf, S. / Yildirim, E. / Akhtar, J. et al. | 2017
- 20847
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A comparative study of the influence of N,N′-dialkyl vs. N,N′-diaryl-based electron donor ancillary ligands on photocurrent and photovoltage in dye-sensitized solar cells (DSSCs)Ashraf, Saba / Yildirim, Erol / Akhtar, Javeed et al. | 2017
- 20861
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Investigating synergistic interactions of group 4, 5 and 6 metals with gold nanoparticles for the catalysis of the electrochemical hydrogen evolution reactionJoshi, Ubisha / Malkhandi, Souradip / Siang Yeo, Boon et al. | 2017
- 20867
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Size dependent behavior of Fe3O4 crystals during electrochemical (de)lithiation: an in situ X-ray diffraction, ex situ X-ray absorption spectroscopy, transmission electron microscopy and theoretical investigationBock, David C. / Pelliccione, Christopher J. / Zhang, Wei et al. | 2017
- 20881
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Sequentially surface modified hematite enables lower applied bias photoelectrochemical water splittingTamirat, Andebet Gedamu / Dubale, Amare Aregahegn / Su, Wei-Nien et al. | 2017
- 20891
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Toward a quantitative description of microscopic pathway heterogeneity in protein foldingGopi, Soundhararajan / Singh, Animesh / Suresh, Swaathiratna et al. | 2017
- 20904
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Materials space of solid-state electrolytes: unraveling chemical composition–structure–ionic conductivity relationships in garnet-type metal oxides using cheminformatics virtual screening approachesKireeva, Natalia / Pervov, Vladislav S. et al. | 2017
- 20919
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A non-empirical calculation of 2p core-electron excitation in compounds with 3d transition metal ions using ligand-field and density functional theory (LFDFT)Ramanantoanina, Harry / Daul, Claude et al. | 2017
- 20930
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CO diffusion as a re-orientation mechanism in the NaY zeoliteRybakov, A. A. / Larin, A. V. / Vercauteren, D. P. et al. | 2017
- 20941
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The long-range convergence of the energetic properties of the water monomer in bulk water at room temperatureDavie, Stuart J. / Maxwell, Peter I. / Popelier, Paul L. A. et al. | 2017
- 20949
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A study on the progress of mutarotation above and below the Tg and the relationship between constant rates and structural relaxation timesWolnica, K. / Dulski, M. / Kaminska, E. et al. | 2017
- 20959
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On the use of the Cu2+–iminodiacetic acid complex for double histidine based distance measurements by pulsed ESRLawless, M. J. / Ghosh, S. / Cunningham, T. F. et al. | 2017
- 20968
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Tuning band gaps and optical absorption of BiOCl through doping and strain: insight form DFT calculationsZhang, Le / Tang, Zhen-Kun / Lau, Woon-Ming et al. | 2017
- 20974
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Influence of permittivity and energetic disorder on the spatial charge carrier distribution and recombination in organic bulk-heterojunctionsAlbes, Tim / Gagliardi, Alessio et al. | 2017
- 20984
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Styryl dye formation promoted by catalytic centers of piperazine bound to a silica surface traced by single molecule fluorescence microscopyLino, Aline M. / Gehlen, Marcelo H. et al. | 2017
- 20991
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Molecular engineering of lanthanide ion chelating phospholipids generating assemblies with a switched magnetic susceptibilityIsabettini, Stéphane / Massabni, Sarah / Hodzic, Arnel et al. | 2017
- 21003
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Edges of graphene and carbon nanotubes with high catalytic performance for the oxygen reduction reactionXu, Zhanwei / Fan, Xiaoli / Li, Hejun et al. | 2017
- 21012
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Liquid-solid phase transition of physical hydrogels subject to an externally applied electro-chemo-mechanical coupled field with mobile ionic speciesWu, T. / Li, H. et al. | 2017
- 21024
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A triaxial tensile deformation-induced nanoporous structure of aluminium: estimation of surface area, solid volume, and dimensionless aspect ratioKumar, Sunil / Das, Suchandan K. et al. | 2017
- 21033
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A high performance and low-cost hole transporting layer for efficient and stable perovskite solar cellsMahmud, Md Arafat / Elumalai, Naveen Kumar / Upama, Mushfika Baishakhi et al. | 2017
- 21046
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Using non-empirically tuned range-separated functionals with simulated emission bands to model fluorescence lifetimesWong, Z. C. / Fan, W. Y. / Chwee, T. S. et al. | 2017
- 21058
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Substantial enhancement of energy storage capability in polymer nanocomposites by encapsulation of BaTiO3 NWs with variable shell thicknessWang, Guanyao / Huang, Yanhui / Wang, Yuxin et al. | 2017
- 21069
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The mechanism of roughness-induced CO2 microbubble nucleation in polypropylene foamingWang, Linyan / Zhang, Wei / Wang, Xiangdong et al. | 2017
- 21078
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Solvent-dependent photo-induced dynamics in a non-rigidly linked zinc phthalocyanine–perylenediimide dyad probed using ultrafast spectroscopyKudisch, Bryan / Maiuri, Margherita / Blas-Ferrando, Vicente M. et al. | 2017
- 21090
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Polysaccharide zeta-potentials and protein-affinityComert, Fatih / Azarikia, Fatemeh / Dubin, Paul L. et al. | 2017
- 21095
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Ultrafast X-ray measurements of the glass-like, high-frequency stiffness of aqueous solutionsJiao, Yishuo / Adams, Bernhard / Rose-Petruck, Christoph et al. | 2017
- 21101
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Linking hygroscopicity and the surface microstructure of model inorganic salts, simple and complex carbohydrates, and authentic sea spray aerosol particlesEstillore, Armando D. / Morris, Holly S. / Or, Victor W. et al. | 2017
- 21112
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Interaction of FeO− with water: anion photoelectron spectroscopy and theoretical calculationsZhao, Li-Juan / Xu, Xi-Ling / Xu, Hong-Guang et al. | 2017
- 21119
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Atomic-scale computational design of hydrophobic RE surface-doped Al2O3 and TiO2Czelej, Kamil / Zemła, Marcin Roland / Śpiewak, Piotr et al. | 2017
- 21127
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Elucidating nuclear motions in a plant sunscreen during photoisomerization through solvent viscosity effectsHorbury, M. D. / Quan, W.-D. / Flourat, A. L. et al. | 2017
- 21132
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Computational prediction of high methane storage capacity in V-MOF-74Hyeon, Seokwon / Kim, Young-Chul / Kim, Jihan et al. | 2017
- 21140
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The influence of surface area, porous structure, and surface state on the supercapacitor performance of titanium oxynitride: implications for a nanostructuring strategyLee, Eun Joo / Lee, Lanlee / Abbas, Muhammad Awai et al. | 2017
- 21152
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Structural and dynamic properties of the C-terminal region of the Escherichia coli RNA chaperone Hfq: integrative experimental and computational studiesWen, Bin / Wang, Weiwei / Zhang, Jiahai et al. | 2017
- 21165
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Polypyrrole capacitance characteristics with different doping ions and thicknessesWang, Jingping / Wu, Chengjun / Wu, Peiqi et al. | 2017
- 21174
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Hydrogen storage in bimetallic Ti–Al sub-nanoclusters supported on grapheneRamos-Castillo, C. M. / Reveles, J. U. / Cifuentes-Quintal, M. E. et al. | 2017
- 21185
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Comment on “Proton transport in barium stannate: classical, semi-classical and quantum regimes” by G. Geneste, A. Ottochian, J. Hermet and G. Dezanneau, Phys. Chem. Chem. Phys., 2015, 17, 19104Samgin, Alexander L. / Ezin, Alexander N. et al. | 2017
- 21191
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Reply to the ‘Comment on “Proton transport in barium stannate: classical, semi-classical and quantum regime”’Geneste, Grégory / Hermet, Jessica / Dezanneau, Guilhem et al. | 2017
- 21210
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Correction: Analysis of local molecular motions of aromatic sidechains in proteins by 2D and 3D fast MAS NMR spectroscopy and quantum mechanical calculationsPaluch, Piotr / Pawlak, Tomasz / Jeziorna, Agata et al. | 2017
- 21211
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Inside back cover| 2017
- 21212
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Back cover| 2017