Browsing by Subject "Quantum mechanical calculations"

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Structure and thermodynamic properties of positive and negative cluster ions in saturated vapour over barium dichloride

Pogrebnoi, Alexander M.; Pogrebnaya, Tatiana P.; Kudin, Lev S.; Tuyizere, Sarathiel (Taylor & Francis online, 2013-03-13)

Geometrical structure, vibration spectra, and enthalpies of dissociation have been investigated for the ions BaCl3−, Ba2Cl3+, Ba3Cl5+, and Ba4Cl7+ which were detected earlier in the saturated vapour over BaCl2. Quantum ...