ImpactU Versión 3.11.2 Última actualización: Interfaz de Usuario: 16/10/2025 Base de Datos: 29/08/2025 Hecho en Colombia
The mechanism behind the photochromism and photomagnetism of type II biindenylidenediones: multiconfigurational, perturbative and density functional theory studies
MCSCF, MRPT2 and MRCI were used to study the electronic states of a single molecule, and DFT for a periodic crystal system. δ-hydrogen abstraction leads to products where high spin–orbit coupling favors the ISC and explain the experimental phenomena.
