| 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 | 137 | 2023 |
| Predicting tensorial molecular properties with equivariant machine learning models VHA Nguyen, A Lunghi Physical Review B 105 (16), 165131, 2022 | 35 | 2022 |
| The critical role of ultra-low-energy vibrations in the relaxation dynamics of molecular qubits E Garlatti, A Albino, S Chicco, VHA Nguyen, F Santanni, L Paolasini, ... Nature Communications 14 (1), 1653, 2023 | 29 | 2023 |
| Multiresponsive spin crossover driven by rotation of tetraphenylborate anion in an iron (III) complex SG Wu, MN Hoque, JY Zheng, GZ Huang, NV Ha Anh, L Ungur, ... CCS Chemistry 3 (1), 453-459, 2021 | 16 | 2021 |
| The role of electronic excited states in the spin-lattice relaxation of spin-1/2 molecules LA Mariano, VHA Nguyen, JB Petersen, M Björnsson, J Bendix, GR Eaton, ... arXiv preprint arXiv:2407.01380, 2024 | 3 | 2024 |
| Charting Regions of Cobalt’s Chemical Space with Maximally Large Magnetic Anisotropy: A Computational High-Throughput Study LA Mariano, VHA Nguyen, V Briganti, A Lunghi Journal of the American Chemical Society 146 (49), 34158-34166, 2024 | 2 | 2024 |
| Charting new regions of Cobalt's chemical space with maximally large magnetic anisotropy: A computational high-throughput study LA Mariano, VHA Nguyen, V Briganti, A Lunghi arXiv preprint arXiv:2409.04418, 2024 | 1 | 2024 |
