| The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 19 (20), 6933-6991, 2023 | 88 | 2023 |
| Spin–phonon coupling and magnetic relaxation in single-molecule magnets JGC Kragskow, A Mattioni, JK Staab, D Reta, JM Skelton, NF Chilton Chemical Society Reviews, 2023 | 33 | 2023 |
| Taming Super-Reduced Bi23– Radicals with Rare Earth Cations P Zhang, R Nabi, JK Staab, NF Chilton, S Demir Journal of the American Chemical Society 145 (16), 9152-9163, 2023 | 32 | 2023 |
| Analytic Linear Vibronic Coupling Method for First-Principles Spin-Dynamics Calculations in Single-Molecule Magnets JK Staab, NF Chilton Journal of Chemical Theory and Computation 18 (11), 6588-6599, 2022 | 18 | 2022 |
| Accurate and efficient spin–phonon coupling and spin dynamics calculations for molecular solids R Nabi, JK Staab, A Mattioni, JGC Kragskow, D Reta, JM Skelton, ... Journal of the American Chemical Society 145 (45), 24558-24567, 2023 | 15 | 2023 |
| Vibronic effects on the quantum tunnelling of magnetisation in Kramers single-molecule magnets A Mattioni, JK Staab, WJA Blackmore, D Reta, J Iles-Smith, A Nazir, ... Nature Communications 15 (1), 485, 2024 | 4 | 2024 |
| Coercive Fields Exceeding 30 T in the Mixed-Valence Single-Molecule Magnet (CpiPr5)2Ho2I3 H Kwon, KR McClain, JGC Kragskow, JK Staab, M Ozerov, KR Meihaus, ... Journal of the American Chemical Society 146 (27), 18714-18721, 2024 | 2 | 2024 |
| Intramolecular bridging strategies to suppress two-phonon Raman spin relaxation in dysprosocenium single-molecule magnets JK Staab, MK Rahman, NF Chilton Physical Chemistry Chemical Physics 26 (25), 17539-17548, 2024 | 2 | 2024 |
| Correction to Analytic Linear Vibronic Coupling Method for First-Principles Spin-Dynamics Calculations in Single-Molecule Magnets J Staab, N Chilton Journal of Chemical Theory and Computation 20 (7), 2969-2970, 2024 | 1 | 2024 |
| Structural Evolution of Paramagnetic Lanthanide Compounds in Solution Compared to Time-and Ensemble-Average Structures B Alnami, JGC Kragskow, JK Staab, JM Skelton, NF Chilton Journal of the American Chemical Society 145 (25), 13632-13639, 2023 | 1 | 2023 |
| Impact of Finite Phonon Lifetimes on the Spin Dynamics of Single-Molecule Magnets R Nabi, J Kragskow, J Staab, D Reta, J Skelton, N Chilton | 1 | 2023 |
| An ab initio study of magnetic relaxation in a dysprosocenium single-molecule magnet R Nabi, B Atkinson, J Staab, J Skelton, N Chilton | | 2024 |
| Vibronic Effects on the Quantum Tunnelling of Magnetisation in Single-Molecule Magnets A Mattioni, JK Staab, WJA Blackmore, D Reta, J Iles-Smith, A Nazir, ... arXiv preprint arXiv:2301.05557, 2023 | | 2023 |
