Suchergebnisse — DigiBib

UB Katalog

Ermittle Trefferzahl…

Artikel & mehr
5.988 Treffer

5.988 Treffer

Detailansicht für Treffer 1 öffnen

Template-free synthesis of mesoporous and amorphous transition metal phosphate materialsElectronic supplementary information (ESI) available: Supplementary Note 1: Critical analysis of SAXS and WAXS processing and of the applied fitting model, Supplementary Note 2: description of K-edge EXAFS spectra in R-space, Fig. S1: XRD diagrams and TGA/DSC measurements of NixCo1−x-struvites, Fig. S2: crystal structure and XRD patterns of T-series of Ni- and Co-struvite from 25 °C – 800 °C, Fig. S3: selected EDX mappings of NixCo1−x-struvite crystals, Fig. S4: SE images of Mg-, Ni – and Co -struvite and their thermally processed derivatives, Fig. S5: N2 adsorption/desorption measurements of thermally treated Mg and Ni-struvite, Fig. S6: N2 adsorption/desorption measurements of thermally treated NixCo1−x-struvite, Fig. S7: McSAS fits of Mg-struvite isothermally heated at 90 °C, Fig. S8: pore size distribution histograms of McSAS fits of Mg-struvite isothermally heated at 90 °C, Fig. S9: McSAS fits of Ni-struvite isothermally heated at 90 °C, Fig. S10: pore size distribution histograms of McSAS fits of Ni-struvite isothermally heated at 90 °C, Fig. S11: McSAS fits of different local volume fractions (ν = 35%, 40% and 50%) and pore size distributions (relative volume fraction of pores) of Mg-struvite isothermally heated at 90 °C, Fig. S12: McSAS fits of different local volume fractions (ν = 35%, 40% and 50%) and pore size distributions (relative volume fraction of pores) of Ni-struvite isothermally heated at 90 °C, Fig. S13: ex situ combined SAXS/WAXS measurements and associated McSAS fits of isothermally heated NixCo1−x-struvite with x = 0.2, 0.5, 0.8 at T = 90 °C for t = 24 h, Fig. S14: Ni- and Co-K-edge XAS spectra of Ni-, Co- and NixCo1−x-struvites, Fig. S15: fits of Ni–K-edge EXAFS data of Ni time series, Fig. S16: Ni K-edge EXAFS data of Ni time series with the corresponding bond distances, eqn (S1): full explanation of the Percus-Yevick structure factor, eqn (S2): calculation of the approximated volume fraction of pores in Mg-struvite from BET N2 adsorption/desorption data, Table S1: DSC integration results of M-struvite, Table S2: summarized EDS data for all NixCo1−x-mixtures (x = 0.1–0.95), Table S3: BET N2 gas sorption results for the pure Mg-, Ni- and Co-struvites, Table S4: BET N2 gas sorption results for the NixCo1−x-mixtures, Table S5: calculated McSAS average pore sizes of all pure M-struvites, Table S6: calculated McSAS average pore sizes of heated NixCo1−x-struvite, Table S7: XANES Ni–K (8333 eV) pre-peak integration results of heated Ni-struvite t-series, Table S8: XANES Ni–K (8333 eV) and Co–K (7709 eV) pre-peak integration results of selected NixCo1−x-struvite precursors and heated products at T = 90 °C and t = 1 d, Table S9: summarized Ni- and Co–K-pre-peak area integration results and phase composition of the NixCo1−x-mixtures, Table S10: fit parameter for Ni-struvite R-factor = 0.005, Table S11: fit parameter for Ni-struvite for t = 10 min, R-factor = 0.008, Table S12: fit parameter for Ni-struvite for t = 20 min, R-factor = 0.009, Table S13: fit parameter for Ni-struvite for t = 40 min, R-factor = 0.011, Table S14: fit parameter for Ni-struvite for t = 60 min, R-factor = 0.013, Table S15: fit parameter for Ni-struvite for t = 90 min, R-factor = 0.008, Table S16: fit parameter for Ni-struvite for t = 120 min, R-factor = 0.010, Table S17: fit parameter for Ni-struvite for t = 150 min, R-factor = 0.009 and Table S18: fit parameter for Ni-monohydrate synthesized in a hydrothermal route, R-factor = 0.012. See DOI: https://doi.org/10.1039/d2nr05630e

Karafiludis, Stephanos ; Buzanich, Ana Guilherme ; et al.

In: Nanoscale, Jg. 15 (2023), Heft 8, S. 3952-3966

serialPeriodical

Wie komme ich dran?
Detailansicht für Treffer 2 öffnen

Quantum theory of electronic excitation and sputtering by transmission electron microscopyElectronic supplementary information (ESI) available: Derivation of the invariant matrix element  introduced in eqn (4), description of the normalization scheme used for the integral in eqn (6), derivation of pz3 that conserves energy and momentum, convergence of σ with respect to nimax, peaks in the sputtering cross section of hBN for low beam energies, fitting and convergence of S with respect to various parameters, derivation of the minimum energy transfer Emin mentioned after eqn (24), and details on the derivation of . See DOI: https://doi.org/10.1039/d2nr01018f

Yoshimura, Anthony ; Lamparski, Michael ; et al.

In: Nanoscale, Jg. 15 (2023), Heft 3, S. 1053-1067

serialPeriodical

Wie komme ich dran?
Detailansicht für Treffer 3 öffnen

Reductant-dependent DNA-templated silver nanoparticle formation kineticsElectronic supplementary information (ESI) available: Procedures of the sample preparation for AFM characterization; more extension–time curves of λ-DNA in the presence of l-ascorbic acid and sodium citrate; extension–time curves of λ-DNA under different forces; and fitting results using eqn (10). See DOI: https://doi.org/10.1039/d3cp02623j

Yang, Zi-Yang ; Jiang, Wen-Yan ; et al.

In: Physical chemistry chemical physics, Jg. 25 (2023), Heft 34, S. 23197-23206

serialPeriodical

Wie komme ich dran?
Detailansicht für Treffer 4 öffnen

Development of hierarchical copper sulfide–carbon nanotube (CuS–CNT) composites and utilization of their superior carrier mobility in efficient charge transport towards photodegradation of Rhodamine B under visible lightElectronic supplementary information (ESI) available: Device fabrication method, calculation of bandgap and dielectric constant, weight (%) test of CNT, charge transfer characteristics of CNT, adsorption of RhB by the catalysts, photodegradation process, function of H2O2 in the degradation process, optimization of the composite material with different CNT content, identification of reactive species, recycling test, photocatalytic activity of a non-azo dye, Fig. S1–S9, and eqn (S1) and (S2). See DOI: https://doi.org/10.1039/d3na00204g

Das, Mainak ; Das, Dhananjoy ; et al.

In: Nanoscale advances, Jg. 5 (2023), Heft 14, S. 3655-3663

Online serialPeriodical

Zugriff:

Full Text Finder (Volltext)

Wie komme ich dran?
Detailansicht für Treffer 5 öffnen

Wet spinning imogolite nanotube fibres: an in situ process studyElectronic supplementary information (ESI) available: POM and SAXS of INT spinning dopes; in situ POM of fibre washing/drying; WAXS of INT fibres and associated orientational fitting parameters; mechanical/physical data for INT fibres spun from cylindrical spinnerets and after gelation; derivation of eqn (4); POM videos of flow through different spinnerets. See DOI: https://doi.org/10.1039/d3na00013c

Moore, Joseph F. ; Paineau, Erwan ; et al.

In: Nanoscale advances, Jg. 5 (2023), Heft 12, S. 3376-3385

Online serialPeriodical

Zugriff:

Full Text Finder (Volltext)

Wie komme ich dran?
Detailansicht für Treffer 6 öffnen

Rocking motion in solid proteins studied by the 15N proton-decoupled R1ρ relaxometryElectronic supplementary information (ESI) available: Details of the relaxation decays analysis; results of the data fitting assuming distribution of the correlation times; details of measurements 1H-15N dipolar couplings; details of quantifying the rf-pulses heating effect; analytical derivation of eqn (3); Spinach code for the R1ρ numerical simulations. See DOI: https://doi.org/10.1039/d3cp00444a

Krushelnitsky, Alexey ; Hempel, Günter ; et al.

In: Physical chemistry chemical physics, Jg. 25 (2023), Heft 23, S. 15885-15896

serialPeriodical

Wie komme ich dran?
Detailansicht für Treffer 7 öffnen

One-bond 13C–13C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state 13C NMR and X-ray crystallographyElectronic supplementary information (ESI) available: Synthesis of 13C-labeled compounds 1–5; crystallization and X-ray crystallography of 1–5; solution 1H and 13C{1H} NMR spectra of 11, 2–5, 1, 215, 6 and 2;5, 6 partial 13C{1H} NMR spectrum of 11, 2 showing the natural abundance carbons; partial 13C{1H} NMR spectrum of 15, 6 showing the natural abundance carbons; solid-state 13C NMR spectra of 11, 2–51, 2, 15, 6 and 25, 6; plots of rC1, C2 in 11, 2–51, 2vs. θ2, and of rC5, C6 in 15, 6 and 25, 6vs. ω; fitting statistics from solid-state 13C NMR measurements of 1JCC in 11, 2–51, 2, 15, 6 and 25, 6; plots of S/Sovs. τ to determine 1JC1, C2 or 1JC5, C6 in 11, 2–51, 2, 15, 6 and 25, 6; discussion of eqn (1) for J-coupling equation parameterization; additional DFT calculations; torsional dependencies of 1JC5, C6 values; representative cartesian coordinates for DFT structures 1c–5c; complete ref. 50. CCDC 2252827–2252833. For ESI and crystallographic data in CIF or other electronic format see DOI: https://doi.org/10.1039/d2cp05363b

Tetrault, Timothy ; Meredith, Reagan J. ; et al.

In: Physical chemistry chemical physics, Jg. 25 (2023), Heft 23, S. 16048-16059

serialPeriodical

Wie komme ich dran?
Detailansicht für Treffer 8 öffnen

Vitrimerization of crosslinked elastomers: a mechanochemical approach for recycling thermoset polymersElectronic supplementary information (ESI) available: The particle size distribution of cryomilled powders, swelling results, stress relaxation of initial crosslinked EVAs, fitting parameters to eqn (1), and optimized cartesian coordinates (Å) in .xyz format. See DOI: https://doi.org/10.1039/d3ma00098b

Bandegi, Alireza ; Gray, Thomas G. ; et al.

In: Materials advances, Jg. 4 (2023), Heft 12, S. 2648-2658

serialPeriodical

Wie komme ich dran?
Detailansicht für Treffer 9 öffnen

Poly(2-oxazoline)-based core cross-linked star polymers: synthesis and drug delivery applicationsElectronic supplementary information (ESI) available: Fig. S1 to S12 (1HNMR, GPC, DLS, TEM images, in vitro drug release, and cytotoxicity studies). Eqn (S1)–(S3) and Scheme S1 (drug loading and drug release). See DOI: https://doi.org/10.1039/d3na00116d

Alkattan, Nedah ; Alasmael, Noura ; et al.

In: Nanoscale advances, Jg. 5 (2023), Heft 10, S. 2794-2803

Online serialPeriodical

Zugriff:

Full Text Finder (Volltext)

Wie komme ich dran?
Detailansicht für Treffer 10 öffnen

Refined definition of the critical micelle concentration and application to alkyl maltosides used in membrane protein researchElectronic supplementary information (ESI) available: Tables 2–6, Fig. 7–10, modelling of the steric free energy, alternative derivation of eqn (20), draft of a non-ideal solution model. See DOI: https://doi.org/10.1039/d2ra07440k

Bothe, Adrian ; Zouni, Athina ; et al.

In: RSC advances, Jg. 13 (2023), Heft 14, S. 9387-9401

Online serialPeriodical

Zugriff:

Full Text Finder (Volltext)

Wie komme ich dran?
Detailansicht für Treffer 11 öffnen

Wrapping silicon microparticles by using well-dispersed single-walled carbon nanotubes for the preparation of high-performance lithium-ion battery anodeElectronic supplementary information (ESI) available: Fig. S1–S9, eqn (S1), Tables S1 and S2 as described in the manuscript. See DOI: https://doi.org/10.1039/d2ra07469a

Cho, Youngseul ; Lee, Kyu Sang ; et al.

In: RSC advances, Jg. 13 (2023), Heft 7, S. 4656-4668

Online serialPeriodical

Zugriff:

Full Text Finder (Volltext)

Wie komme ich dran?
Detailansicht für Treffer 12 öffnen

An integrated protocol to study hydrogen abstraction reactions by atomic hydrogen in flexible molecules: application to butanol isomersElectronic supplementary information (ESI) available: The execution steps of all involved programs; the evolution of anharmonic factors, transmission coefficients and product branching ratios with temperature; the relative energy of the conformers of reactants and transition states; the MP-CVT/SCT rate constants and its components according to eqn (17); the MPWB1K/6-31+G(d, p) and F12-CCSD(T)/cc-PVTZ//MPWB1K/6-31+G(d, p) absolute energies and the barrier heights for eqn (2) obtained by the two methods; the variational and tunneling transmission coefficients of each TS conformer for each hydrogen abstraction channel; the fitting parameters to eqn (24); and the Cartesian coordinates and absolute energy of all the stationary point conformers (reactants and transition states) calculated at the MPWB1K/6-31+G(d, p) level. See DOI: 10.1039/d1cp03928h

Ferro-Costas, David ; Cordeiro, M. Natália D. S. ; et al.

In: Physical chemistry chemical physics, Jg. 24 (2022), Heft 5, S. 3043-3058

serialPeriodical

Wie komme ich dran?
Detailansicht für Treffer 13 öffnen

Thermoelectrochemical Seebeck coefficient and viscosity of Co-complex electrolytes rationalized by the Einstein relation, Jones–Dole B coefficient, and quantum-chemical calculationsElectronic supplementary information (ESI) available: Experimental and calculation methods, summary of the calculated radii, atomic coordinates of the structure-optimized cations and anions, calculated entropies for Fe(bpy)32+/3+ and Cr(bpy)32+/3+, data from the Se measurements, fitting parameters for the Casteel–Amis equation, derivation of eqn (13), and adjusted Walden plot. See DOI: https://doi.org/10.1039/d2cp02985e

Cho, Yuki ; Nagatsuka, Shinya ; et al.

In: Physical chemistry chemical physics, Jg. 24 (2022), Heft 35, S. 21396-21405

serialPeriodical

Wie komme ich dran?
Detailansicht für Treffer 14 öffnen

Cation structure-dependence of the induced free charge density gradient in imidazolium and pyrrolidinium ionic liquidsElectronic supplementary information (ESI) available: 1H NMR spectra of RTILs and derivation of eqn (5). See DOI: https://doi.org/10.1039/d2cp01066f

Wang, Yufeng ; Adhikari, Laxmi ; et al.

In: Physical chemistry chemical physics, Jg. 24 (2022), Heft 32, S. 19314-19320

serialPeriodical

Wie komme ich dran?
Detailansicht für Treffer 15 öffnen

Time–strain inseparability in multiaxial stress relaxation of supramolecular gels formed via host–guest interactionsElectronic supplementary information (ESI) available: Double logarithmic plots of Δσ versus t for different types of stretching at various degrees of imposed strain for HGG63-0, the reproducibility of the stress relaxation behavior for HGG63-2, and the fitted results of eqn (4) to the t dependence of f for several types of stretching for HGG63-0. See DOI: https://doi.org/10.1039/d2sm00285j

Kimura, Takuro ; Aoyama, Takuma ; et al.

In: Soft matter, Jg. 18 (2022), Heft 26, S. 4953-4962

serialPeriodical

Wie komme ich dran?
Detailansicht für Treffer 16 öffnen

The Jahn–Teller and pseudo-Jahn–Teller effects in the propyne radical cationElectronic supplementary information (ESI) available: Formulation of eqn (21)–(24), the higher-order coupling parameters of the electronic Hamiltonian [cf.eqn (9) and (8)] of CH3CCH+ (Tables S1 and S2), vibrational energy levels and their assignments (Tables S4 and S5) and the numerical details of the calculations (Tables S3 and S6), and vibronic wave functions of X̃2E, Ã2E and B̃2A1 states of CH3CCH+ (Figs. S1–S3)]. See DOI: https://doi.org/10.1039/d2cp01930b

Kanakati, Arun Kumar ; Rani, Vadala Jhansi ; et al.

In: Physical chemistry chemical physics, Jg. 24 (2022), Heft 27, S. 16522-16537

serialPeriodical

Wie komme ich dran?
Detailansicht für Treffer 17 öffnen

New insights into progressive ligand replacement from [Ru2Cl(O2CCH3)4]: synthetic strategies and variation in redox potentials and paramagnetic shiftsElectronic supplementary information (ESI) available: Materials and methods. Single-crystal X-ray diffraction data collection and structural refinement. Infrared spectra (Fig. S1–S8). Isotopic distribution of the main species in the positive ESI-MS spectra (Fig. S9–S12). MALDI mass spectra of compounds (Fig. S13). Asymmetric unit of compounds (Fig. S14–S21). Sample and crystal data of compounds (Tables S1–S8). C–H⋯F contacts in the crystal structures (Fig. S22–S26). Eqn (S1)–(S5) to fit the magnetic data. Variable temperature molar susceptibility χM and χMT for the complexes (Fig. S27–S30). Magnetic parameters obtained from the fit of the experimental magnetic data (Table S9). Cyclic voltammograms and half-wave potentials (Fig. S31–S37). 1H and 19F-NMR spectra and data (Fig. S38–S40, and Table S10). CCDC 2122430–2122436 and 2153108. For ESI and crystallographic data in CIF or other electronic format see DOI: https://doi.org/10.1039/d2dt00909a

Inchausti, Almudena ; Terán, Aarón ; et al.

In: Dalton transactions, Jg. 51 (2022), Heft 25, S. 9708-9719

serialPeriodical

Wie komme ich dran?
Detailansicht für Treffer 18 öffnen

Concentration-dependent HAT/ET mechanism of the reaction of phenols with 2, 2-diphenyl-1-picrylhydrazyl (dpph˙) in methanolElectronic supplementary information (ESI) available: synthesis and 1H NMR for 3 and 4, details for kinetic measurements, kinetic traces for dpph˙ bleaching during reaction with 1–5, tables with series of kexp obtained for increasing [ArOH] in methanol and acidified methanol and in buffered methanol/water at pH 5.4 and 7.4, plots and kinetic parameters for linear and non linear fitting of eqn 2, dissociation diagrams, derivation of kET/kHAT ratio. See DOI: 10.1039/d2ra01033j

Przybylski, Paweł ; Konopko, Adrian ; et al.

In: RSC advances, Jg. 12 (2022), Heft 13, S. 8131-8136

Online serialPeriodical

Zugriff:

Full Text Finder (Volltext)

Wie komme ich dran?
Detailansicht für Treffer 19 öffnen

Highly thermostable white-emitting Ca9ZnK(PO4)7:Ce3+, Dy3+ single-phase phosphor with tunable photoluminescence and energy transferElectronic supplementary information (ESI) available: Fig. S1–S10, Tables S1, S2 and eqn (S1)–(S11). See DOI: 10.1039/d1dt04124j

Zheng, Youkui ; Wang, Zizheng ; et al.

In: Dalton transactions, Jg. 51 (2022), Heft 7, S. 2770-2781

serialPeriodical

Wie komme ich dran?
Detailansicht für Treffer 20 öffnen

Quantifying interfacial tensions of surface nanobubbles: How far can Young's equation explain?Electronic supplementary information (ESI) available: Normal stress profiles under surface nanobubbles; peak density inside the N2 molecule-adsorbed layers; breakdown of Young's equation for the case of NN2 = 100 and η = 1.0; calculation of the contact angles of semispherical submicron-sized bubbles; bulk N2 density inside the nanobubbles estimated using eqn (4); density distributions of N2 molecules in the nanobubble systems; density distributions of water molecules in the nanobubble systems; and systems used for the calculation of interfacial tensions. See DOI: 10.1039/d1nr07428h

Teshima, Hideaki ; Kusudo, Hiroki ; et al.

In: Nanoscale, Jg. 14 (2022), Heft 6, S. 2446-2455

serialPeriodical

Wie komme ich dran?

xs 0 - 576

sm 576 - 768

md 768 - 992

lg 992 - 1200

xl 1200 - 1366

xxl 1366 -