Molecular magnetism
NF Chilton - Annual Review of Materials Research, 2022 - annualreviews.org
Molecular magnetism, though distinctly a field within chemistry, encompasses much more
than synthesis and has strong links with other disciplines across the physical sciences …
than synthesis and has strong links with other disciplines across the physical sciences …
Enhancing spin coherence in optically addressable molecular qubits through host-matrix control
Optically addressable spins are a promising platform for quantum information science due to
their combination of a long-lived qubit with a spin-optical interface for external qubit control …
their combination of a long-lived qubit with a spin-optical interface for external qubit control …
Quasi-Relativistic Calculation of EPR g Tensors with Derivatives of the Decoupling Transformation, Gauge-Including Atomic Orbitals, and Magnetic Balance
We present an exact two-component (X2C) ansatz for the EPR g tensor using gauge-
including atomic orbitals (GIAOs) and a magnetically balanced basis set expansion. In …
including atomic orbitals (GIAOs) and a magnetically balanced basis set expansion. In …
Hyperfine coupling constants in local exact two-component theory
We present a highly efficient implementation of the electron–nucleus hyperfine coupling
matrix within the one-electron exact two-component (X2C) theory. The complete derivative of …
matrix within the one-electron exact two-component (X2C) theory. The complete derivative of …
Optimizing Alkali Metal (M) and Chelate (L) Combinations for the Synthesis and Stability of [M(L)][(C5H4SiMe3)3Y] Yttrium(II) Complexes
To optimize the factors affecting the generation and stability of [M (L)][Cp′ 3YII] complexes
(Cp′= C5H4SiMe3), reductions of Cp′ 3YIII with nine different combinations of alkali …
(Cp′= C5H4SiMe3), reductions of Cp′ 3YIII with nine different combinations of alkali …
A Combined Experimental and Theoretical Investigation of Arene-Supported Actinide and Ytterbium Tetraphenolate Complexes
Modular tetraphenolate ligands tethered with a protective arene platform (para-phenyl or
para-terphenyl) are used to support mononuclear An (IV)(An= Th, U) complexes with an …
para-terphenyl) are used to support mononuclear An (IV)(An= Th, U) complexes with an …