검색결과 : 14건
| No. | Article |
|---|---|
| 1 |
Post-B3LYP Functionals Do Not Improve the Description of Magnetic Coupling in Cu(II) Dinuclear Complexes Costa R, Reta D, Moreira IDR, Illas F Journal of Physical Chemistry A, 122(13), 3423, 2018 |
| 2 |
Helical Folding-Induced Stabilization of Ferromagnetic Polyradicals Based on Triarylmethyl Radical Derivatives Maneru DR, Moreira IDR, Illas F Journal of the American Chemical Society, 138(16), 5271, 2016 |
| 3 |
Electronic Structure and Magnetic Properties of CuFeS2 Conejeros S, Alemany P, Llunell M, Moreira IDR, Sanchez V, Llanos J Inorganic Chemistry, 54(10), 4840, 2015 |
| 4 |
Nature of Holes, Oxidation States, and Hypervalency in Covellite (CuS) Conejeros S, Moreira IDR, Alemany P, Canadell E Inorganic Chemistry, 53(23), 12402, 2014 |
| 5 |
New Series of Triply Bridged Dinuclear Cu(II) Compounds: Synthesis, Crystal Structure, Magnetic Properties, and Theoretical Study Wannarit N, Siriwong K, Chaichit N, Youngme S, Costa R, Moreira IDR, Illas F Inorganic Chemistry, 50(21), 10648, 2011 |
| 6 |
Toward the Design of Ferromagnetic Molecular Complexes: Magnetostructural Correlations in Ferromagnetic Triply Bridged Dinuclear Cu(II) Compounds Containing Carboxylato and Hydroxo Bridges Costa R, Moreira IDR, Youngme S, Siriwong K, Wannarit N, Illas F Inorganic Chemistry, 49(1), 285, 2010 |
| 7 |
Electronic Structure and Magnetic Properties of Potassium Ozonide KO3 Liunell M, Alemany P, Moreira IDR Inorganic Chemistry, 48(13), 5938, 2009 |
| 8 |
Chemical Bonding and Electronic and Magnetic Structure in LaOFeAs Wojdel JC, Moreira IDR, Illas F Journal of the American Chemical Society, 131(3), 906, 2009 |
| 9 |
Unconventional biradical character of titanium enolates Moreira IDR, Bofill JM, Anglada JM, Solsona JG, Nebot J, Romea P, Urpi F Journal of the American Chemical Society, 130(11), 3242, 2008 |
| 10 |
The structural relaxation of the alpha-Al2O3(0001) - an investigation of potential errors Gomes JRB, Moreira IDR, Reinhardt P, Wander A, Searle BG, Harrison NM, Illas F Chemical Physics Letters, 341(5-6), 412, 2001 |