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Now showing items 11-20 of 31
Theoretical Study of Structure, Vibration Spectra and Thermodynamic Properties of Cluster Ions in Vapors over Potassium, Rubidium and Cesium Chlorides
(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
(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 ...
Theoretical study of properties of Cs2Cl+, CsCl2−, Cs3Cl2+, and Cs2Cl3− ions: Effect of Basis set and Computation Method
(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 ...
Study of interaction of chitosan with Fluoride
(Biointerface Research in Applied Chemistry, 2018-06-15)
Interaction of chitosan with fluoride (F-
) has been studied using experimental and computational methods. Chitosan was extracted from
prawns shells and modified by cross-linking with glutaraldehyde and protonation using ...
Semi-Transparent Building Integrated Photovoltaic Solar Glazing: Investigations of Electrical and Optical Performances for Window Applications in Tropical Region
(Hindawi, 2019-12-17)
Integrating solar PV technology with semi-transparent windows permits multifunctional operation as electricity generation and allowing natural light to enter the building, hence overall energy efficiency improvement. The ...
Oldoinyo Lengai Volcanic Ash for Removal of Hydrogen Sulfide and Ammonia from Biogas
(Scientific Research an Academic Publisher, 2018-04-13)
Oldoinyo Lengai mountain located in Northern Tanzania is the only active natrocarbonatite volcano with unusually alkali-rich natrocarbonatites which are not found elsewhere in the world. Volcanic ash formed earlier during ...
Effect of Industrial Dust Deposition on Photovoltaic Module Performance: Experimental Measurements in the Tropical Region
(Hindawi, 2019-12-20)
Dust particle accumulation affects outdoor photovoltaic module transmittance of solar cell glazing and thus leads to significant degradation of conversion efficiency owing to lower irradiance reaching the surface. In this ...
Theoretical Study of the Interaction between Chitosan Constituents (Glucosamine and Acetylglucosamine Dimers) and Na+ Ions
(Open Access Library Journal, 2015-10-30)
The interaction of dimers of glucosamine and acetylglucosamine molecules with sodium ion has
been studied using the DFT/B3LYP approach. The optimization of geometrical parameters and vibrational spectra calculations were ...
Structure and vibrational spectra of cluster ions over rubidium iodide by computational chemistry
(IEEE, 2015-03-05)
The properties of Rb 2 I + , RbI 2 - , Rb 3 I 2 + and Rb 2 I 3 - ions were studied using two quantum chemical methods, DFT and Møller-Plesset perturbation theory of the 2 nd order. The effective core potential with Def2-QZVP ...
Calculation of the Thermodynamic Characteristics of Ions in Vapor over Sodium Fluoride
(Springer Nature Switzerland AG., 2008-01)
The geometric parameters, normal vibration frequencies, and thermochemical characteristics of the ions present in vapor over sodium fluoride, Na2F+, Na3F 2+, NaF 2−, and Na2F 3−, were calculated ab initio by the Hartree-Fock ...