[HTML][HTML] Including vibrational effects in magnetic circular dichroism spectrum calculations in the framework of excited state dynamics
In this work, we present a computational approach that is able to incorporate vibrational
effects in the computations of magnetic circular dichroism (MCD) spectra. The method …
effects in the computations of magnetic circular dichroism (MCD) spectra. The method …
Aufbau vs. non-Aufbau ground states in two-coordinate d 7 single-molecule magnets
D Errulat, KLM Harriman, DA Gálico… - Inorganic Chemistry …, 2021 - pubs.rsc.org
Single-molecule magnets (SMMs) with d7 electronic configurations often require designer
ligands to satisfy the metals electronic conditions to achieve large angular momentum …
ligands to satisfy the metals electronic conditions to achieve large angular momentum …
[图书][B] Synthesis and Electronic Structure in Iron and Uranium Coordination Complexes
NJ Wolford - 2022 - search.proquest.com
A fundamental understanding of electronic structure and bonding in uranium and iron
coordination complexes is essential, in the former for the study of separations chemistry and …
coordination complexes is essential, in the former for the study of separations chemistry and …