Ibrahim Moustapher

Cluster Ions in Vapour over Calcium Dichloride: Theoretical Study of Geometrical Structure and Vibrational Spectra

Ibrahim Moustapher, Tatiana P. Pogrebnaya & Alexander M. Pogrebnoi · Current Journal of Applied Science and Technology · 2015

Geometrical structure and vibrational spectra for CaCl3–, Ca2Cl3+, Ca3Cl5+, Ca4Cl7+, and Ca5Cl9+ ions have been studied by employing density functional theory and the second order Møller–Plesset perturbation theory. The equilibrium geometrical structures are as follows: the plana...