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Information × Registration Number 0308U001672, 0103U003550 , R & D reports Title Intermolekular co-operations in the gases, liquids and melts popup.stage_title Міжмолекулярні взаємодії у газах, рідинах та розплавах Head Soloviev Veniamin Vasylievich, Registration Date 20-02-2008 Organization Polava National Technical University named in the honour of Yuri Kondratyuk popup.description2 By the analysis of results of ab initio calculations with the use of the program packages GAMESS and hyperChem7.01 the acid-base mechanism of forming electrochemically of active particles (EAP) in tungstate and molibdates melts, which is taken to priority formation of cationized particles, is grounded. The conceptual chart of redistribution of charge between anion's XO42- (X=W; Mo) and cation's Li+, Ca2+ and Mg2+ at their co-operation is offered. Determining is proved influence of cation's composition of the melts on the reactionary ability EAP in the processes of their renewal, composition and the EAP form is set. It is exposed, that cationized anions XO42- creates pre-conditions for priority of simultaneous transfer of electrons before successive one. Product Description popup.authors popup.nrat_date 2020-04-02 Close