Add to ORKGThe quadrupole hyperfine interaction of ZrF4.3H2O is reported. This compound is observed to dehydrate to ZrF4 at 325 K. Spectra taken on cooling were observed to be time dependent, and the rehydration process involved was investigated at 293, 298 and 302 K. Contrary to what had previously been determined in HfF4.3H2O, no intermediate compound was observed to participate in the reaction investigated, thus confirming structural differences already reported to exist between these isoformulae compounds.Departamento de Físic
Relativistic molecular calculations Summary. Fully relativistic molecular density-functional calcula...
addition complexes MX4-2L, where M is Zr or Hf, x is C1 or Br, and L is tetrahydrofuran or tetrahydr...
Using ab initio density-functional theory approach the electric field gradients (EFGs) and hyperfine...
The thermal evolution of the hyperfine quadrupole interaction in (NH4)2ZrF6 has been investigated vi...
The hyperfine quadrupole interaction of HfF4.3H2O at Hf sites is investigated from 14 to 820 K. No t...
The temperature dependence above room temperature of the hyperfine quadrupole interactions measured ...
The thermal evolution of the hyperfine interaction in α-ZrF4 is investigated between 293 K and 788 K...
We performed density functional theory (DFT) calculations on binary and ternary oxo/fluoro crystals ...
Polyaminecarboxilic ligands like diethylenetriaminepentaacetic acid form stable complexes with many ...
Volatile metal complexes of the group 4 elements Zr and Hf with hexafluoroacetylacetonate (hfa) have...
The quadrupole hyperfine interaction in Li2ZrF6 and Li2HfF6 has been studied as a function of temper...
aqueous reaction to form the hydrated fluorides which are subsequently dehydrated at elevated temper...
We performed density functional theory (DFT) calculations on binary and ternary oxo/fluoro crystals ...
Time-differential perturbed angular correlation (TDPAC) measurements in NH4Hf2F9 were performed betw...
The stability of multiple possible phases of ZrF2 is computed using density-functional theory. Motiv...
Relativistic molecular calculations Summary. Fully relativistic molecular density-functional calcula...
addition complexes MX4-2L, where M is Zr or Hf, x is C1 or Br, and L is tetrahydrofuran or tetrahydr...
Using ab initio density-functional theory approach the electric field gradients (EFGs) and hyperfine...
The thermal evolution of the hyperfine quadrupole interaction in (NH4)2ZrF6 has been investigated vi...
The hyperfine quadrupole interaction of HfF4.3H2O at Hf sites is investigated from 14 to 820 K. No t...
The temperature dependence above room temperature of the hyperfine quadrupole interactions measured ...
The thermal evolution of the hyperfine interaction in α-ZrF4 is investigated between 293 K and 788 K...
We performed density functional theory (DFT) calculations on binary and ternary oxo/fluoro crystals ...
Polyaminecarboxilic ligands like diethylenetriaminepentaacetic acid form stable complexes with many ...
Volatile metal complexes of the group 4 elements Zr and Hf with hexafluoroacetylacetonate (hfa) have...
The quadrupole hyperfine interaction in Li2ZrF6 and Li2HfF6 has been studied as a function of temper...
aqueous reaction to form the hydrated fluorides which are subsequently dehydrated at elevated temper...
We performed density functional theory (DFT) calculations on binary and ternary oxo/fluoro crystals ...
Time-differential perturbed angular correlation (TDPAC) measurements in NH4Hf2F9 were performed betw...
The stability of multiple possible phases of ZrF2 is computed using density-functional theory. Motiv...
Relativistic molecular calculations Summary. Fully relativistic molecular density-functional calcula...
addition complexes MX4-2L, where M is Zr or Hf, x is C1 or Br, and L is tetrahydrofuran or tetrahydr...
Using ab initio density-functional theory approach the electric field gradients (EFGs) and hyperfine...