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Research projects --- Molecular magnetism
Topics: Quantum chemical simulations of molecular magnets
 | structure and magnetism of
M(TCNE)x molecular magnets |
 | exchange and anisotropy in
Mn-porphyrin molecular magnets |
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building blocks of molecular magnets: TCNE, TCNQ, HCBD |
Research projects:
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PN2-Ideas-174_2007,
principal investigator Fanica Cimpoesu |
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PN2-Ideas-***_2008, principal investigator Marilena Ferbinteanu
Cimpoesu |
Team: Corneliu Oprea, Bogdan Frecus
Collaborators:
Recent publications:
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Hybrid
Organic-Inorganic
Nanostructured Magnets,
M.A. Gîrţu and
M. Fahlman, in
Magnetic Nanostructures, H.S. Nalwa, edt., 2nd
ed., American Scientific Publishers,
Los
Angeles, 2009, pp. 359-433
(ISBN-10
1-58883-145-0, ISBN-13 978-1-58883-145-3). |
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„The
DFT rationalization of exchange and anisotropy in
one-dimensional d-p magnets.
The [MnIII(porphyrin)][TCNE]
case study.”
F. Cimpoesu, M. Ferbinteanu, B. Frecuş,
and M.A. Gîrţu,
Polyhedron 28, 2039 (2009) |
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“Theoretical study
of neutral and reduced hexacyanobutadiene” C.I. Oprea,
A.
Damian, and M.A. Gîrţu, J. Mol. Struct. (Theochem) 804,
111 (2007) |

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