Browsing Research Articles [MEWES] by Author "Pogrebnoi, Alexander M."
Now showing items 21-24 of 24
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Theoretical Study of Structure and Vibrational Spectra of Molecular and Ionic Clusters Existing in Vapour over Rubidium Chloride
Abubakari, Ismail; Pogrebnaya, Tatiana P.; Pogrebnoi, Alexander M. (Science Publishing Group, 2015-12-22)The geometrical structure and the vibrational spectra of dimer Rb2Cl2, trimer Rb3Cl3, tetramer Rb4Cl4 molecules and heptaatomic Rb4Cl3+, Rb3Cl4– ions were studied. The cluster molecules and ions had been detected in ... -
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 the structure and stability of the Na2Cl+, NaCl 2−, Na3Cl 2+, and Na2Cl 3− ions
Pogrebnaya, Tatiana P.; Pogrebnoi, Alexander M.; Kudin, Lev S. (Springer Nature Switzerland AG., 2007-11)The geometrical parameters, normal vibration frequencies, and thermochemical characteristics of the Na2Cl+, NaCl 2−, Na3Cl 2+, and Na2Cl 3− ions in saturated vapors over sodium chloride were calculated by the ab initio ... -
Vibrational and Electronic Spectra of Natural Dyes Constituents for Solar Cell Application: DFT and TDDFT Study
Makuraza, Joseph; Pogrebnaya, Tatiana P.; Pogrebnoi, Alexander M. (Science Publishing Group, 2015-09-09)Selected constituents of natural dyes, phenol, 1,2-benzoquinone, 1,4-benzoquinone, 1,4-naphthoquinone, and 9,10-anthraquinone have been studied theoretically using the density functional theory and time-dependent density ...