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Theoretical Study of Structure, Vibration Spectra and Thermodynamic Properties of Cluster Ions in Vapors over Potassium, Rubidium and Cesium Chlorides

Pogrebnaya, Tatiana P.; Hishamunda, Jean B.; Girabawe, Camille; Pogrebnoi, Alexander M. (Springer Nature Switzerland AG., 2011-10-04)

The geometrical structure, the frequencies of normal vibrations, and the thermodynamic characteristics of tri- and pentaatomic cluster ions M2Cl+, MCl 2 − , M3Cl 2 + , and M2Cl 3 − (M = K, Rb, or Cs) existing in saturated ...

Theoretical study of properties of Cs2Cl+, CsCl2−, Cs3Cl2+, and Cs2Cl3− ions: Effect of Basis set and Computation Method

Hishamunda, Jean B.; Girabawe, Camille; Pogrebnaya, Tatiana P.; Pogrebnaya, Alexander M. (Rwanda Journal, 2012-07)

Theoretical study of properties of Cs2Cl+, CsCl2−, Cs3Cl2+ and Cs2Cl3− ions has been performed using the density functional theory (DFT/B3LYP) and the second order Møller-Plesset perturbation theory (MP2). Two triple-zeta ...