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Bogdan Frecuș
Bogdan Frecuș
institute of physical chemistry, bucharest
Verified email at theochem.kth.se - Homepage
Title
Cited by
Cited by
Year
Pygmy dipole resonance: Collective features and symmetry energy effects
V Baran, B Frecus, M Colonna, M Di Toro
Physical Review C 85 (5), 051601, 2012
342012
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
262012
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
242017
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
242011
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
222019
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
212011
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
192015
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
172014
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
162014
COLLECTIVE DIPOLE MODES IN NUCLEAR SYSTEMS
V BARAN, B FRECUS, M COLONNA, M DI TORO, R ZUS
Romanian Journal of Physics, 2012
162012
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
142016
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
142009
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
112011
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
102014
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
82021
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
72019
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
62013
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
42012
Theoretical studies of EPR parameters of spin-labels incomplex environments
B Frecus
KTH Royal Institute of Technology, 2013
32013
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
22013
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