Pygmy dipole resonance: Collective features and symmetry energy effects V Baran, B Frecus, M Colonna, M Di Toro Physical Review C—Nuclear Physics 85 (5), 051601, 2012 | 40 | 2012 |
Encapsulation influence on EPR parameters of spin-labels: 2, 2, 6, 6-tetramethyl-4-methoxypiperidine-1-oxyl in cucurbit [8] uril Z Rinkevicius, B Frecus, NA Murugan, O Vahtras, J Kongsted, H Ågren Journal of Chemical Theory and Computation 8 (1), 257-263, 2012 | 28 | 2012 |
On the density functional theory treatment of lanthanide coordination compounds: a comparative study in a series of Cu–Ln (Ln= Gd, Tb, Lu) binuclear complexes M Ferbinteanu, A Stroppa, M Scarrozza, I Humelnicu, D Maftei, B Frecus, ... Inorganic Chemistry 56 (16), 9474-9485, 2017 | 24 | 2017 |
DFT study of electronic structure and optical properties of some Ru-and Rh-based complexes for dye-sensitized solar cells CI Oprea, B Frecuş, BF Minaev, MA Gîrţu Molecular Physics 109 (21), 2511-2523, 2011 | 24 | 2011 |
Valence bond account of triangular polyaromatic hydrocarbons with spin: combining ab initio and phenomenological approaches AM Toader, CM Buta, B Frecus, A Mischie, F Cimpoesu The Journal of Physical Chemistry C 123 (11), 6869-6880, 2019 | 22 | 2019 |
Density Functional Restricted–Unrestricted/Molecular Mechanics Theory for Hyperfine Coupling Constants of Molecules in Solution Z Rinkevicius, NA Murugan, J Kongsted, B Frecus, AH Steindal, H Ågren Journal of Chemical Theory and Computation 7 (10), 3261-3271, 2011 | 22 | 2011 |
On exchange coupling and bonding in the Gd2@ C80 and Gd2@ C79N endohedral dimetallo-fullerenes F Cimpoesu, B Frecus, CI Oprea, H Ramanantoanina, W Urland, C Daul Molecular Physics 113 (13-14), 1712-1727, 2015 | 19 | 2015 |
Disorder, exchange and magnetic anisotropy in the room-temperature molecular magnet V [TCNE] x–A theoretical study F Cimpoesu, B Frecus, CI Oprea, P Panait, MA Gîrţu Computational materials science 91, 320-328, 2014 | 17 | 2014 |
Ab initio study of exchange coupling for the consistent understanding of the magnetic ordering at room temperature in V[TCNE] x B Frecus, CI Oprea, P Panait, M Ferbinteanu, F Cimpoesu, MA Gîrţu Theoretical Chemistry Accounts 133, 1-17, 2014 | 16 | 2014 |
COLLECTIVE DIPOLE MODES IN NUCLEAR SYSTEMS V BARAN, B FRECUS, M COLONNA, M DI TORO, R ZUS Romanian Journal of Physics, 2012 | 16 | 2012 |
Noble gas endohedral fullerenes, Ng@C60 (Ng=Ar, Kr): a particular benchmark for assessing the account of non-covalent interactions by density functional theory … B Frecus, CM Buta, CI Oprea, A Stroppa, MV Putz, F Cimpoesu Theoretical Chemistry Accounts 135, 1-9, 2016 | 14 | 2016 |
The DFT rationalization of exchange and anisotropy in one-dimensional dp magnets: The [MnIII (porphyrin)][TCNE] case study F Cimpoesu, M Ferbinteanu, B Frecuş, MA Gîrţu Polyhedron 28 (9-10), 2039-2043, 2009 | 14 | 2009 |
Nuclear collective dynamics within Vlasov approach V Baran, M Colonna, M Di Toro, B Frecus, A Croitoru, D Dumitru The European Physical Journal D 68, 1-8, 2014 | 11 | 2014 |
DFT study of structure–properties correlations in [MnTPP][TCNE] quasi-one-dimensional molecular magnets CI Oprea, F Cimpoesu, P Panait, B Frecuş, M Ferbinteanu, MA Gîrţu Theoretical Chemistry Accounts 129, 847-857, 2011 | 11 | 2011 |
Intra-and inter-molecular spin coupling in phenalenyl dimeric systems MC Buta, B Frecus, M Enache, I Humelnicu, AM Toader, F Cimpoesu The Journal of Physical Chemistry A 125 (32), 6893-6901, 2021 | 8 | 2021 |
Molecular and Supramolecular Interactions in Systems with Nitroxide-Based Radicals MC Buta, AM Toader, B Frecus, CI Oprea, F Cimpoesu, G Ionita International Journal of Molecular Sciences 20 (19), 4733, 2019 | 7 | 2019 |
EPR spin Hamiltonian parameters of encapsulated spin-labels: impact of the hydrogen bonding topology B Frecus, Z Rinkevicius, NA Murugan, O Vahtras, J Kongsted, H Ågren Physical Chemistry Chemical Physics 15 (7), 2427-2434, 2013 | 6 | 2013 |
Theoretical studies of EPR parameters of spin-labels incomplex environments B Frecus KTH Royal Institute of Technology, 2013 | 4 | 2013 |
Reaction mechanisms in transport theories: a test of the nuclear effective interaction M Colonna, V Baran, M Di Toro, B Frecus, YX Zhang arXiv preprint arXiv:1209.1542, 2012 | 4 | 2012 |
π-Stacking effects on the EPR parameters of a prototypical DNA spin label B Frecus, Z Rinkevicius, H Ågren Physical Chemistry Chemical Physics 15 (25), 10466-10471, 2013 | 3 | 2013 |