Uncovering the role of non-covalent interactions in solid-state photoswitches by non-spherical structure refinements with NoSpherA2

Autor: Lauren E. Hatcher, Lucy K. Saunders, Ben A. Coulson
Rok vydání: 2023
Předmět:
Zdroj: Faraday Discussions.
ISSN: 1364-5498
1359-6640
Popis: Charge density analysis, via Hirshfeld atom refinement in NoSpherA2, is used to rationalise key structure–property relationships in photoswitchable single-crystals.
Databáze: OpenAIRE