Browsing Exact and Earth Sciences by Subject "Propriedades térmicas"
Now showing items 1-2 of 2
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B3LYP density functional calculations on the ground-state structure, elastic properties, and compression mechanism of α-ZrW/sub 2/O/sub 8/
(2007) [Journal article]The structure of -ZrW2O8 was optimized at different pressures and its elastic constants were calculated at the B3LYP density functional level of theory. Overall, the relative stiffnesses of the atomic bonds and linkages, ... -
Synthesis of new family of thiazoline and thiazole esters and investigation of their thermal properties
(2014) [Journal article]A new family of thiazoline and thiazole esters has been synthesized and their thermal properties are presented and discussed. Thiazoline esters were obtained by cyclization reaction from 4-substituted benzenenitrile and ...