Spin–phonon coupling and magnetic relaxation in single-molecule magnets
Electron–phonon coupling is important in many physical phenomena, eg photosynthesis,
catalysis and quantum information processing, but its impacts are difficult to grasp on the …
catalysis and quantum information processing, but its impacts are difficult to grasp on the …
[HTML][HTML] Towards understanding and controlling ultrafast dynamics in molecular photomagnets
Manipulating magnetic materials is the cornerstone of hard drive technology. This modern
information technology era has led to an explosive increase in the rate of data generation …
information technology era has led to an explosive increase in the rate of data generation …
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
G Li Manni, I Fdez. Galván, A Alavi… - Journal of chemical …, 2023 - ACS Publications
The developments of the open-source OpenMolcas chemistry software environment since
spring 2020 are described, with a focus on novel functionalities accessible in the stable …
spring 2020 are described, with a focus on novel functionalities accessible in the stable …
Accurate and efficient spin–phonon coupling and spin dynamics calculations for molecular solids
Molecular materials are poised to play a significant role in the development of future
optoelectronic and quantum technologies. A crucial aspect of these areas is the role of spin …
optoelectronic and quantum technologies. A crucial aspect of these areas is the role of spin …
Intramolecular bridging strategies to suppress two-phonon Raman spin relaxation in dysprosocenium single-molecule magnets
JK Staab, MK Rahman, NF Chilton - Physical Chemistry Chemical …, 2024 - pubs.rsc.org
Dy (III) bis-cyclopentadienyl (Cp) sandwich compounds exhibit extremely strong single-ion
magnetic anisotropy which imbues them with magnetic memory effects such as magnetic …
magnetic anisotropy which imbues them with magnetic memory effects such as magnetic …
Theoretical Magnetic Relaxation and Spin–Phonon Coupling Study in a Series of Molecular Engineering Designed Bridged Dysprosocenium Analogues
A detailed computational study of hypothetical sandwich dysprosium double-decker
complexes, bridged by various numbers of aliphatic linkers, was performed to evaluate the …
complexes, bridged by various numbers of aliphatic linkers, was performed to evaluate the …
Mitigating Raman relaxation for high-temperature single-molecule magnets
QC Luo, YZ Zheng - Trends in Chemistry, 2023 - cell.com
Previous studies on how to prolong the relaxation times of single-molecule magnets (SMMs)
focus on mitigating the quantum tunneling effect. However, recent progress shows that …
focus on mitigating the quantum tunneling effect. However, recent progress shows that …
Vibronic effects on the quantum tunnelling of magnetisation in Kramers single-molecule magnets
Single-molecule magnets are among the most promising platforms for achieving molecular-
scale data storage and processing. Their magnetisation dynamics are determined by the …
scale data storage and processing. Their magnetisation dynamics are determined by the …
Dissecting the Molecular Origin of g-Tensor Heterogeneity and Strain in Nitroxide Radicals in Water: Electron Paramagnetic Resonance Experiment versus Theory
Nitroxides are common EPR sensors of microenvironmental properties such as polarity,
numbers of H-bonds, pH, and so forth. Their solvation in an aqueous environment is …
numbers of H-bonds, pH, and so forth. Their solvation in an aqueous environment is …
Structural evolution and zero-field SMM behaviour in ferromagnetically-coupled disk-type Co7 clusters bearing exclusively end-on azido bridges
Y Jiao, Y Li, Y Zhou, P Cen, Y Ding, Y Guo… - Chinese Chemical …, 2024 - Elsevier
Concise chemistry leads to a family of heptanuclear Co II-clusters,[Co 7 (N 3) 12 (CH 3 CN)
12][Y 2 (NO 3) 4 (piv) 4]∙ 2CH 3 CN (DC1)(pivH= pivalic acid),[Co 7 (N 3) 12 (CH 3 CN) 10 …
12][Y 2 (NO 3) 4 (piv) 4]∙ 2CH 3 CN (DC1)(pivH= pivalic acid),[Co 7 (N 3) 12 (CH 3 CN) 10 …