Diffusion Fundamentals, 2005 Diffusion in solids, which requires the presence of crystal defects or disorder, has both microscopic and macroscopic aspects. Nuclear magnetic resonance techniques provide access to microscopic diffusion parameters like atomic jump rates and activation energies as well as to the tracer diffusion coefficient for macroscopic transport.
Heitjans, Paul +2 more
openaire +2 more sources
The use of variable temperature 13 C solid-state MAS NMR and GIPAW DFT calculations to explore the dynamics of diethylcarbamazine citrate [PDF]
, 2018 Experimental 13C solid‐state magic‐angle spinning (MAS) NMR as well as DFT (gauge‐including projector augmented wave) GIPAW calculations were used to probe disorder and local mobility in diethylcarbamazine citrate, (DEC)+(citrate)‐.
Abraham +55 more
core +1 more source
A Wide-Line Solid-State 1H NMR Study of Phase Structures of Semi-Crystalline Polymers
Chinese Journal of Magnetic Resonance, 2019 Wide-line solid-state proton nuclear magnetic resonance (1H NMR) spectrometry is a classical technique to study the phase structures of semi-crystalline polymers.
WU Jin-ze +3 more
doaj +1 more source
Composite Dipolar Recoupling: Anisotropy Compensated Coherence Transfer in Solid-State NMR [PDF]
, 2006 The efficiency of dipole-dipole coupling driven coherence transfer experiments in solid-state NMR spectroscopy of powder samples is limited by dispersion of the orientation of the internuclear vectors relative to the external magnetic field.
Cindie Kehlet +5 more
core +1 more source
NMR shieldings from density functional perturbation theory: GIPAW versus all-electron calculations [PDF]
, 2016 We present a benchmark of the density functional linear response calculation of NMR shieldings within the Gauge-Including Projector-Augmented-Wave method against all-electron Augmented-Plane-Wave$+$local-orbital and uncontracted Gaussian basis set ...
G. A. de Wijs +6 more
core +5 more sources
Effects of radial radio-frequency field inhomogeneity on MAS solid-state NMR experiments [PDF]
Magnetic Resonance, 2021 Radio-frequency field inhomogeneity is one of the most common imperfections in NMR experiments. They can lead to imperfect flip angles of applied radio-frequency (rf) pulses or to a mismatch of resonance conditions, resulting in artefacts or degraded ...
K. Aebischer, Z. Tošner, M. Ernst
doaj +1 more source
Multi-spin dynamics of the solid-state NMR Free Induction Decay [PDF]
, 2005 We present a new experimental investigation of the NMR free induction decay (FID) in a lattice of spin-1/2 nuclei in a strong Zeeman field. Following a pi/2 pulse, evolution under the secular dipolar Hamiltonian preserves coherence number in the Zeeman ...
A. A. Ludin +8 more
core +2 more sources
Acidity and Basicity of Solid Acid Catalysts Studied by Solid-State NMR
Chinese Journal of Magnetic Resonance, 2021 Solid-state nuclear magnetic resonance (NMR) is an important technique to study the acidity and basicity of solid catalysts. Here we review some research works carried out in our laboratory, including studies on the acidity of metal oxides under ...
Xin CHEN +3 more
doaj +1 more source
ssNMRlib: a comprehensive library and tool box for acquisition of solid-state nuclear magnetic resonance experiments on Bruker spectrometers [PDF]
Magnetic Resonance, 2020 We introduce ssNMRlib, a comprehensive suite of pulse sequences and jython scripts for user-friendly solid-state nuclear magnetic resonance (NMR) data acquisition, parameter optimization and storage on Bruker spectrometers.
A. Vallet +3 more
doaj +1 more source
Dynamic nuclear polarization enhanced solid-state NMR studies of surface modification of gamma-alumina [PDF]
, 2017 Dynamic nuclear polarization (DNP) gives large (>100-fold) signal enhancements in solid-state NMR spectra via the transfer of spin polarization from unpaired electrons from radicals implanted in the sample.
Kulisevsky, Jaime +5 more
core +8 more sources