Solid-state NMR spectroscopy is one of the most commonly used techniques to study the
atomic-resolution structure and dynamics of various chemical, biological, material, and …

Solid-state NMR (ssNMR) spectroscopy analyzes a wide range of pharmaceutical materials
in a non-disruptive and non-invasive manner. The obtained molecular properties at …

Abstract Structure determination of amorphous materials remains challenging, owing to the
disorder inherent to these materials. Nuclear magnetic resonance (NMR) powder …

This overview highlights the emergent area of mechanochemical reactions for making active
pharmaceutical ingredients (APIs), and covers the latest advances in the recently …

Interest in molecular crystals has grown thanks to their relevance to pharmaceuticals,
organic semiconductor materials, foods, and many other applications. Electronic structure …

Due to their strong dependence on local atonic environments, NMR chemical shifts are
among the most powerful tools for strucutre elucidation of powdered solids or amorphous …

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 …

Efforts to tune the bulk physical properties of concrete are hindered by a lack of knowledge
related to the atomic-level structure and growth of calcium silicate hydrate phases, which …

Recent advances in the application of first-principles calculations of NMR parameters to
periodic systems have resulted in widespread interest in their use to support experimental …

Developments of NMR methodology to characterise the structures of molecular organic
structures are reviewed, concentrating on the previous decade of research in which density …