L. Kabalan

most citedMolecular and all solid DFT studies of the magnetic and chemical bonding properties within KM[Cr(CN)

_{6}

] (M = V, Ni) complexes

5 citations · 5 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.soft2008★ 5 cited

Molecular and all solid DFT studies of the magnetic and chemical bonding properties within KM[Cr(CN) $_{6}$ ] (M = V, Ni) complexes

L. Kabalan, S. F. Matar, C. Desplanches +2

A study at both the molecular and extended solid level in the framework DFT is carried out for KM[Cr(CN) $_{6}$ ] (M = V, Ni). From molecular calculations, the exchange parameters J ar…

cond-mat.soft2007

Ab initio molecular and solid state studies of Fe $^{I I}$ spin cross-over system [Fe(btz) $_{2}$ (NCS) $_{2}$

L. Kabalan, S. F. Matar, M. Zakhour +1

Ab initio computations within the density functional theory are reported for the spin cross-over complex, [Fe(btz) $_{2}$ (NCS) $_{2}$ ], where 3d $^{6}$ Fe $^{I I}$ is characterized by Hig…

Molecular and all solid DFT studies of the magnetic and chemical bonding properties within KM[Cr(CN)6​] (M = V, Ni) complexes

Ab initio molecular and solid state studies of FeII spin cross-over system [Fe(btz)2​(NCS)2​

Molecular and all solid DFT studies of the magnetic and chemical bonding properties within KM[Cr(CN) $_{6}$ ] (M = V, Ni) complexes

Ab initio molecular and solid state studies of Fe $^{I I}$ spin cross-over system [Fe(btz) $_{2}$ (NCS) $_{2}$