Uncovering the role of non-covalent interactions in solid-state photoswitches by non-spherical structure refinements with NoSpherA2
Lauren E. Hatcher, Lucy K. Saunders, Ben A. Coulson
Abstract
-ONO) isomer. This insight can be fed back into the crystal engineering process to develop new and improved photoswitches that can be optimised towards specific applications.
Topics & Concepts
Covalent bondChemistryChemical physicsAb initioMoleculeCrystal (programming language)Excited stateCrystal engineeringComputational chemistryNanotechnologyMaterials scienceAtomic physicsPhysicsComputer scienceHydrogen bondProgramming languageOrganic chemistryPhotochromic and Fluorescence ChemistryAdvanced Memory and Neural ComputingCopper-based nanomaterials and applications