First-principles calculations of NMR parameters in solids (including the chemical shift, the
quadrupolar interaction for nuclei with spin quantum number I> 1/2, and the indirect J …

Although solid-state NMR (SSNMR) provides rich information about molecular structure and
dynamics, the small spin population differences between pairs of spin states that give rise to …

A computer program for fast and accurate numerical simulation of solid-state NMR
experiments is described. The program is designed to emulate a NMR spectrometer by …

We present a proton-selective method to determine 17O− 1H distances in organic,
biological, and biomimetic materials by fast magic-angle-spinning solid-state NMR …

Magnesium–sulfur batteries are considered as attractive energy-storage devices due to the
abundance of electrochemically active materials and high theoretical energy density. Here …

Solid-state nuclear magnetic resonance (NMR) spectroscopy has long been established as
offering unique atomic-scale and element-specific insight into the structure, disorder, and …

Exploration of compositional disorder using conventional diffraction-based techniques is
challenging for systems containing isoelectronic ions possessing similar coherent neutron …

The material Cu2ZnSn (S, Se) 4 (CZTS) offers a promising indium-free alternative to Cu (In,
Ga) Se2 for the absorber layer in thin-film solar cells. It is known that the highest solar …

We report here an improved way of doing the multiple-quantum magic-angle spinning
(MQMAS) NMR experiment that relies on the use of amplitude modulated pulses. These …

Solid-state NMR spectroscopy (ssNMR) can provide details about the structure, host–
guest/guest–guest interactions and dynamic behavior of materials at atomic length scales. A …