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Now showing items 11-20 of 22
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 ...
Structural and thermodynamic characteristics of ionic associates in vapors over sodium bromide and iodide
(Nature Switzerland AG., 2010-05-16)
Nonempirical methods are used to calculate the geometric parameters, the frequencies of normal vibrations, and thermochemical characteristics of ions existing in saturated vapors over sodium bromide and iodide: Na2X+, NaX ...
Structure and properties of molecular and ionic clusters in vapour over caesium fluoride
(Taylor & Francis Online, 2015-02-11)
The properties of neutral molecules Cs2F2, Cs3F3, and Cs4F4, and positive and negative cluster ions Cs2F+, CsF2−, Cs3F2+, Cs2F3−, Cs4F3+, and Cs5F4+ were studied by several of quantum chemical methods implementing density ...
Ionic species in vapour over barium diiodide: Quantum chemical study of structure and thermodynamic properties
(Elsevier B.V., 2017-10-01)
The cluster ions Ba2I3+, Ba3I5+ and Ba4I7+ were detected earlier in saturated vapour over barium diiodide using high temperature mass spectrometric technique. In this work the structure and thermodynamic properties of the ...
Complex Hydrides Li2MH5 (M = B, Al) for Hydrogen Storage Application: Theoretical Study of Structure, Vibrational Spectra and Thermodynamic Properties
(Science Publishing Group, 2015-12-18)
Gaseous lithium complex hydrides Li2MH5 (M = B, Al) have been studied using DFT/B3P86 and MP2 methods with 6-311++G(d,p) basis set. High content of hydrogen by these materials accord them with good candidacy as a class of ...