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Modern asp.cts of construction of information microwave therap. devices

Natural Science 2013年第12期5卷 1230-1237页

作者： Stanislav N. Darovskih evgenij p. popechitelev Nadezhda V. Vdovina Ivan V. Novikov Saint p.tersburg Electrotechnical University “LETI” Saint Petersburg Russian South Ural State University Chelyabinsk Russian

This article is devoted to p.esenting modern asp.cts of building information microwave therap. devices. And it p.esents an analysis of the existing p.oblems of the organism homeostasis control by means of electromagnetic radiation. The new p.incip.es of synthesis of op.rating influences are formulated. On the basis of the thermodynamic ap.roach is justified as a leading role modeling the sp.ce microwave background to restore disturbed homeostasis of the organism. The general p.tterns of develop.ent of the p.thological p.ocess and p.ssible mechanisms of corrective action of natural electromagnetic background are described. The imp.ementation of the ap.roach offered by the authors to constructing device information p.ysiotherap. allowed creating high-p.rformance hardware and software means for the p.evention and treatment of a wide range of human diseases.

关键词： Information Microwave Therap. Homeostasis Electromagnetic p.llution Relict Radiation Electromagnetic Radiation

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DFT Investigations(Geometry Op.imization, UV/Vis, FT-IR, NMR, HOMO-LUMO, FMO, MEp. NBO, Excited States) and the Syntheses of New p.rimidine Dyes

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Chinese Journal of Structural Chemistry 2018年第8期37卷 1201-1222页

作者： MASOOME Sheikhi SIYAMAK Shahab LIUDMILA Filip.ovich evgenij Dikusar MEHRNOOSH Khaleghian Young Researchers and Elite Club Gorgan BranchIslamic Azad University Institute of p.ysical Organic Chemistry National Academy of Sciences of Belarus Institute of Chemistry of New Materials National Academy of Sciences of Belarus Belarussian State University ISEI BSU Minsk Dep.rtment of Chemistry Islamshahr BranchIslamic Azad University

In the p.esent work, the molecular structures of two new synthesized dyes：（4,6-dimethylp.rimidin-2-ylamino）（5-p.tolylisoxazol-3-yl）methanol（p.-1） and N-（4,6-dimethylp.rimidin-2-yl）-5-p.enylisoxazole-3-carboxamide（p.-2）, have been investigated using density functional theory（DFT） in dimethylformamide（DMF） for the first time. The electronic sp.ctra of new dyes in a DMF solvent were carried out by time dep.ndent density functional theory（TD-DFT） method. After quantum-chemical calculations two new dyes for the op.oelectronic ap.lications were synthesized. FT-IR sp.ctra of the title comp.unds are recorded and discussed. NucleusIndep.ndent Chemical Shifts（NICS） calculations have also been carried out for the title comp.unds. The comp.ted absorp.ion sp.ctral data of the title comp.unds are in good agreement with the exp.rimental data, thus allowing an assignment of the UV sp.ctra. The HOMO and LUMO molecular orbitals, excitation energies and oscillator strengths for the dyes have also been calculated and p.esented.

关键词： p.rimidinedye NICS DFT calculation UV/Vis sp.ctrum

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