| Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table F Aquilante, J Autschbach, RK Carlson, LF Chibotaru, MG Delcey, ... Journal of computational chemistry 37 (5), 506-541, 2016 | 1593 | 2016 |
| A stable pentagonal bipyramidal Dy (III) single-ion magnet with a record magnetization reversal barrier over 1000 K J Liu, YC Chen, JL Liu, V Vieru, L Ungur, JH Jia, LF Chibotaru, Y Lan, ... Journal of the American Chemical Society 138 (16), 5441-5450, 2016 | 1012 | 2016 |
| OpenMolcas: From source code to insight I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 15 (11), 5925-5964, 2019 | 828* | 2019 |
| Symmetry-supported magnetic blocking at 20 K in pentagonal bipyramidal Dy (III) single-ion magnets YC Chen, JL Liu, L Ungur, J Liu, QW Li, LF Wang, ZP Ni, LF Chibotaru, ... Journal of the American Chemical Society 138 (8), 2829-2837, 2016 | 822 | 2016 |
| Ab initio calculation of anisotropic magnetic properties of complexes. I. Unique definition of pseudospin Hamiltonians and their derivation LF Chibotaru, L Ungur The Journal of chemical physics 137 (6), 2012 | 772 | 2012 |
| Magnetic relaxation pathways in lanthanide single-molecule magnets RJ Blagg, L Ungur, F Tuna, J Speak, P Comar, D Collison, W Wernsdorfer, ... Nature chemistry 5 (8), 673-678, 2013 | 734 | 2013 |
| Strong Axiality and Ising Exchange Interaction Suppress Zero-Field Tunneling of Magnetization of an Asymmetric Dy2 Single-Molecule Magnet YN Guo, GF Xu, W Wernsdorfer, L Ungur, Y Guo, J Tang, HJ Zhang, ... Journal of the American Chemical Society 133 (31), 11948-11951, 2011 | 732 | 2011 |
| The origin of nonmagnetic Kramers doublets in the ground state of dysprosium triangles: evidence for a toroidal magnetic moment L Chibotaru, L Ungur, A Soncini Angewandte Chemie-International Edition 47 (22), 4126-4129, 2008 | 726 | 2008 |
| A polynuclear lanthanide single-molecule magnet with a record anisotropic barrier PH Lin, TJ Burchell, L Ungur, LF Chibotaru, W Wernsdorfer, M Murugesu Angew. Chem. Int. Ed 48 (10.1002), 2009 | 637 | 2009 |
| Single-molecule magnet behavior for an antiferromagnetically superexchange-coupled dinuclear dysprosium (III) complex J Long, F Habib, PH Lin, I Korobkov, G Enright, L Ungur, W Wernsdorfer, ... Journal of the American Chemical Society 133 (14), 5319-5328, 2011 | 583 | 2011 |
| Switching the anisotropy barrier of a single-ion magnet by symmetry change from quasi-D 5h to quasi-O h JL Liu, YC Chen, YZ Zheng, WQ Lin, L Ungur, W Wernsdorfer, ... Chemical Science 4 (8), 3310-3316, 2013 | 517 | 2013 |
| Structure, Magnetism, and Theoretical Study of a Mixed-Valence CoII3CoIII4 Heptanuclear Wheel: Lack of SMM Behavior despite Negative Magnetic Anisotropy LF Chibotaru, L Ungur, C Aronica, H Elmoll, G Pilet, D Luneau Journal of the American Chemical Society 130 (37), 12445-12455, 2008 | 494 | 2008 |
| Fine‐tuning the local symmetry to attain record blocking temperature and magnetic remanence in a single‐ion magnet L Ungur, JJ Le Roy, I Korobkov, M Murugesu, LF Chibotaru Angewandte Chemie 126 (17), 4502-4506, 2014 | 437 | 2014 |
| The active site of low-temperature methane hydroxylation in iron-containing zeolites BER Snyder, P Vanelderen, ML Bols, SD Hallaert, LH Böttger, L Ungur, ... Nature 536 (7616), 317-321, 2016 | 421 | 2016 |
| Strategies toward high-temperature lanthanide-based single-molecule magnets L Ungur, LF Chibotaru Inorganic Chemistry 55 (20), 10043-10056, 2016 | 403 | 2016 |
| Modern quantum chemistry with [Open] Molcas F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ... The Journal of chemical physics 152 (21), 2020 | 393 | 2020 |
| Magnetic anisotropy in the excited states of low symmetry lanthanide complexes L Ungur, LF Chibotaru Physical Chemistry Chemical Physics 13 (45), 20086-20090, 2011 | 383 | 2011 |
| Ab initio investigation of the non-collinear magnetic structure and the lowest magnetic excitations in dysprosium triangles L Ungur, W Van den Heuvel, LF Chibotaru New Journal of Chemistry 33 (6), 1224-1230, 2009 | 382 | 2009 |
| Single-molecule toroics in Ising-type lanthanide molecular clusters L Ungur, SY Lin, J Tang, LF Chibotaru Chemical Society Reviews 43 (20), 6894-6905, 2014 | 361 | 2014 |
| Coexistence of Distinct Single‐Ion and Exchange‐Based Mechanisms for Blocking of Magnetization in a CoII2DyIII2 Single‐Molecule Magnet KC Mondal, A Sundt, Y Lan, GE Kostakis, O Waldmann, L Ungur, ... Angewandte Chemie-German Edition 124 (30), 7668, 2012 | 326 | 2012 |
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