Browsing Materials, Energy, Water and Environmental Sciences by Author "Jacob, Fortunatus"
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Ionic species in vapour over barium diiodide: Quantum chemical study of structure and thermodynamic properties
Jacob, Fortunatus; Pogrebnaya, Tatiana P.; Pogrebnoi, Alexander M. (Elsevier B.V., 2017-10-01)The cluster ions Ba2I3+, Ba3I5+ and Ba4I7+ were detected earlier in saturated vapour over barium diiodide using high temperature mass spectrometric technique. In this work the structure and thermodynamic properties of the ... -
Theoretical study of structure, vibrational spectra and thermodynamic properties of cluster ions existing in vapours over barium dihalides
Jacob, Fortunatus (NM-AIST, 2017-12)Computational and theoretical methods were employed to study the structure, vibrational spectra and thermodynamic properties of cluster ions that were detected earlier in saturated vapour over barium dihalides. The equilibrium ...