Quantum tunnelling of the magnetization in a monolayer of oriented single-molecule magnets M Mannini, F Pineider, C Danieli, F Totti, L Sorace, P Sainctavit, MA Arrio, ... Nature 468 (7322), 417-421, 2010 | 615 | 2010 |
The role of anharmonic phonons in under-barrier spin relaxation of single molecule magnets A Lunghi, F Totti, R Sessoli, S Sanvito Nature communications 8 (1), 14620, 2017 | 328 | 2017 |
Density functional calculations of magnetic exchange interactions in polynuclear transition metal complexes A Bencini, F Totti, CA Daul, K Doclo, P Fantucci, V Barone Inorganic Chemistry 36 (22), 5022-5030, 1997 | 243 | 1997 |
On the calculation and modeling of magnetic exchange interactions in weakly bonded systems: the case of the ferromagnetic copper (II) μ2-azido bridged complexes C Adamo, V Barone, A Bencini, F Totti, I Ciofini Inorganic chemistry 38 (9), 1996-2004, 1999 | 193 | 1999 |
Intra-molecular origin of the spin-phonon coupling in slow-relaxing molecular magnets A Lunghi, F Totti, S Sanvito, R Sessoli Chemical science 8 (9), 6051-6059, 2017 | 164 | 2017 |
Assessment of a combined QM/MM approach for the study of large nitroxide systems in vacuo and in condensed phases V Barone, A Bencini, M Cossi, A Di Matteo, M Mattesini, F Totti Journal of the American Chemical Society 120 (28), 7069-7078, 1998 | 122 | 1998 |
Roles of bridging ligand topology and conformation in controlling exchange interactions between paramagnetic molybdenum fragments in dinuclear and trinuclear complexes VÂ Ung, AMW Cargill Thompson, DA Bardwell, D Gatteschi, JC Jeffery, ... Inorganic chemistry 36 (16), 3447-3454, 1997 | 109 | 1997 |
A few comments on the application of density functional theory to the calculation of the magnetic structure of oligo-nuclear transition metal clusters A Bencini, F Totti Journal of chemical theory and computation 5 (1), 144-154, 2009 | 106 | 2009 |
A Complete Ab Initio View of Orbach and Raman Spin–Lattice Relaxation in a Dysprosium Coordination Compound M Briganti, F Santanni, L Tesi, F Totti, R Sessoli, A Lunghi Journal of the American Chemical Society 143 (34), 13633-13645, 2021 | 86 | 2021 |
Density functional studies on the exchange interaction of a dinuclear Gd (III)–Cu (II) complex: method assessment, magnetic coupling mechanism and magneto-structural correlations G Rajaraman, F Totti, A Bencini, A Caneschi, R Sessoli, D Gatteschi Dalton Transactions, 3153-3161, 2009 | 84 | 2009 |
Density functional modeling of long range magnetic interactions in binuclear oxomolybdenum (V) complexes A Bencini, D Gatteschi, F Totti, DN Sanz, JA Mc Cleverty, MD Ward The Journal of Physical Chemistry A 102 (51), 10545-10551, 1998 | 79 | 1998 |
Giant spin–phonon bottleneck effects in evaporable vanadyl-based molecules with long spin coherence L Tesi, A Lunghi, M Atzori, E Lucaccini, L Sorace, F Totti, R Sessoli Dalton Transactions 45 (42), 16635-16643, 2016 | 78 | 2016 |
Strong Ferromagnetic Interactions in [V8O14(H−2taci)2]: An Unprecedented Large Spin Ground State for a Vanadyl Cluster K Hegetschweiler, B Morgenstern, J Zubieta, PJ Hagrman, N Lima, ... Angewandte Chemie International Edition 43 (26), 3436-3439, 2004 | 78 | 2004 |
Magnetic Bistability in a Submonolayer of Sublimated Fe4 Single-Molecule Magnets L Malavolti, V Lanzilotto, S Ninova, L Poggini, I Cimatti, B Cortigiani, ... Nano letters 15 (1), 535-541, 2015 | 75 | 2015 |
Tunable spin–superconductor coupling of spin 1/2 vanadyl phthalocyanine molecules L Malavolti, M Briganti, M Hänze, G Serrano, I Cimatti, G McMurtrie, ... Nano Letters 18 (12), 7955-7961, 2018 | 72 | 2018 |
DFT description of the magnetic structure of polynuclear transition‐metal clusters: The complexes [{Cu(bpca)2(H2O)2}{Cu(NO3)2}2], (bpca = Bis(2‐pyridylcarbonyl)amine), and [Cu(DBSQ)(C2H … A Bencini, F Totti International journal of quantum chemistry 101 (6), 819-825, 2005 | 71 | 2005 |
Magnetic Slow Relaxation in a Metal–Organic Framework Made of Chains of Ferromagnetically Coupled Single‐Molecule Magnets G Huang, G Fernandez‐Garcia, I Badiane, M Camarra, S Freslon, ... Chemistry–A European Journal 24 (27), 6983-6991, 2018 | 63 | 2018 |
Density functional modeling of double exchange interactions in transition metal complexes. Calculation of the ground and excited state properties of [Fe2 (OH) 3 (tmtacn) 2] 2+ V Barone, A Bencini, I Ciofini, CA Daul, F Totti Journal of the American Chemical Society 120 (33), 8357-8365, 1998 | 61 | 1998 |
Relaxation Dynamics and Magnetic Anisotropy in a Low‐Symmetry DyIII Complex E Lucaccini, M Briganti, M Perfetti, L Vendier, JP Costes, F Totti, R Sessoli, ... Chemistry–A European Journal 22 (16), 5552-5562, 2016 | 60 | 2016 |
Molecular magnets and surfaces: A promising marriage. A DFT insight A Caneschi, D Gatteschi, F Totti Coordination Chemistry Reviews 289, 357-378, 2015 | 59 | 2015 |