Quantum-chemical calculation of modified silicon-contained zeolite clusters electronic structure by zink and calcium ions
Combination of methods quantum chemistry. Geometrical and electronic structure of clinoptilolite clusters modified by zinc and calcium. Redistribution of electronic density on the oxygen atoms of clusters during formation of bonds with zinc and calcium.
A sample of Mg10Ir19B16, prepared from the elements by high-temperature treatment in sealed Ta containers. The chemical composition, confirmed by WDXS analysis. Electronic structure calculations and chemical bonding analysis by the ELI/ED approach.
статья, добавлен 23.02.2017
There are notable characteristics, occurrence, applications (compounds, H and K lines), history, compounds, isotopes, nutrition (dietary calcium supplements, prevention of fractures due to osteoporosis, possible cancer prevention, overdose) about calcium.
реферат, добавлен 13.11.2009
The specificity of the hydrothermal method for the synthesis of calcium carbonate. Determination of the nanostructure in the present inorganic chemical compound of salt carbonic acid and calcium. The diffraction characteristics of the calcium salt.
статья, добавлен 30.07.2016
The interaction of CO molecules with clean and oxygen-modified Mo(110) surface has been investigated by means of density functional calculations. That on both clean and oxygencovered Mo(110) surfaces CO molecules are tilted with respect to the normal.
автореферат, добавлен 02.04.2014
Formation of the porous structure of zinc oxide. Morphological properties of anodized films. Methods of diffraction of X-rays and scanning electron microscopy. Analysis of electrochemical anodizing of zinc oxide in electrolyte based on glycerol.
статья, добавлен 30.08.2016
Investigations concerning the processes of plugging stone structure formation, using X-ray diffraction, electronic microscopy were implemented. Influence of active mineral additives of metakaolin on the properties of plugging mortar were established.
статья, добавлен 21.12.2016
The study of ion-exchange sorption of CS+ and sr2+ on clinoptilolite in original, modified e- and G-irradiation, decationated with hydrochloric acid, and the cation-contained form, the definition of the coefficient of sorption and distribution of KD, KS.
статья, добавлен 02.04.2014
Study of influence of amino acids on the hydroxyapatite formation. Study of mineral obtained by transmission electron microscopy and powder X-ray diffraction. Analysis of the phase composition, crystal size and lattice microstrains of calcium phosphate.
статья, добавлен 23.12.2016
The graphene basic properties is given. The possible role of intrinsic and deliberately induced structural defects in electronic and chemical properties of graphene substrates. Optimized geometric structures for the Stone-Wales defect functionalized.
статья, добавлен 02.04.2014
Physical parameter models. Thermodynamic parameter models. Brief review of the relationship between the solution model and phase equilibria. The modified quasi chemical (MQC) model. Basic quasi chemical theory. The modified binary quasi-chemical theory.
статья, добавлен 10.04.2017
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