Machine learning workflow enables faster, more reliable organic crystal structure prediction

Prediction of crystal structures of organic molecules is a critical task in many industries, especially in pharmaceuticals ...
EurekAlert!

Faster and more reliable crystal structure prediction of organic molecules

Crystal structure prediction (CSP) of organic molecules is a critical task, especially in pharmaceuticals and materials ...
EurekAlert!

Solving an 80-year-old mystery: the crystal structure of a tetra-n-butylammonium bromide hydrate found with synchrotron radiation

Although occupation of dodecahedral cages by TBAB had not been previously reported, it was found that utilizing dodecahedral cages allows for higher packing density of TBAB. The results were shared in ...
JSTOR Daily

The Thermoelectric Power of Ionic Crystals. I. Theoretical

The theory of the thermoelectric power of solid ionic conductors has been considered thermodynamically by Holtan, Mazur & de Groot (1953) and kinetically by Howard & Lidiard (1957a,b). In the ...