Stabilizing the titanium-based metal organic frameworks in water by metal cations with empty or partially-filled d orbitalsTi-based MOFsEnhancing the stability in waterMetal cations with empty or partially-filledd orbitalsThough titanium-based metal-organic frameworks (MOFs) are declared to be ...
JoseCentroVidalCentro&CentroNathalieCentroJullianCentroInformaworldMolecular Crystals & Liquid Crystals Incorporating Nonlinear OpticsVeciana J, Vidal J, Jullian N. Is the Orthogonality of Partially Filled Orbitals in a Regular Chain a Proper Strategy Towards High Spin Molecules. Mol. Cryst. Liq. Cryst....
Metal cations with empty or partially-filledd orbitalsThough titanium-based metal-organic frameworks (MOFs) are declared to be relatively water stable, their framework gradually collapses in water within days due to the attack of OH- to OTiO bond. For practical applications of titanium-based MOFs,...
A total of 6561 configurations (with occupancies from (8,0,0) to (3,2,2) of the 3 t 2 g orbitals of the 8 Fe atoms) have been explored, with energies in many cases lower (by up to 1550 μ E h per 2 Fe atoms) than the one of the fully ordered case, both...
polymers/ degenerate molecular orbitalsrestricted Hartree-Fock approximationMINDO/3polymethyneselectronic configurationone-determinant approximationIn calculations for molecules with a partially filled pair of degenerate MO's in the restricted Hartree-Fock approximation, within the framework of the one-determinant...
In that case, atoms considered as colors are isotropic, so they do not possess directional properties as the d orbitals do. This makes the present case different with respect to the solid solution case. Obviously these differences apply to cases with partial f or g orbital occupancy as well....
In that case, atoms considered as colors are isotropic, so they do not possess directional properties as the d orbitals do. This makes the present case different with respect to the solid solution case. Obviously these differences apply to cases with partial f or g orbital occupancy as well....
Octahedral FeIII coordination has a t2g3eg2 configuration; the orbitals are half-filled. Due to symmetric charge distribution, no quadruple splitting is expected. The QS 0.62 mm/s and 1.10 mm/s values for the (a) and (b) FeII environments strongly suggest that there are two differently ...
It was found that PVA was comprised of a sleek and flathead microstructure filled with many switchbacks. After the conversion of PVA to PPVA and then PPVP, it was found that the surface morphology was turned to be more uneven. When zirconium ions were introduced to PPVP, the surface of ...