In Situ Calculation of the Rotation Barriers of the Methyl Groups of Tribromomesitylene Crystals: Theory Meets Experiment

A Amar, S Zeroual, X Rocquefelte, A Boucekkine - Crystals, 2024 - mdpi.com
The computation of the rotation barriers of the methyl groups (Me) of tribromomesitylene
(TBM) crystals has been carried out. Experimentally, the barriers of the three Me groups of …

Experimental and theoretical insights into the structure and molecular dynamics of 2, 3, 3′, 4′-tetramethoxy-trans-stilbene–a chemopreventive agent

A Pajzderska, M Wierzchowski, D Łażewski… - Physical Chemistry …, 2023 - pubs.rsc.org
The methoxy analogue of a trans-stilbene compound–2, 3, 3′, 4′-tetramethoxy-trans-
stilbene–was selected to characterize its crystallographic structure, intermolecular …