Matches in SemOpenAlex for { <https://semopenalex.org/work/W4200318729> ?p ?o ?g. }
Showing items 1 to 57 of
57
with 100 items per page.
- W4200318729 endingPage "80" @default.
- W4200318729 startingPage "67" @default.
- W4200318729 abstract "Diacetone diperoxide (DADP) and triacetone triperoxide (TATP) are very sensitive organic-peroxide type explosives which are easily synthesized. The present density functional treatment considers oxidative powers of DADP and TATP molecules based on comparison of their interactions with certain group II-metals at the level of B3LYP/6-311++G(d,p). Composite systems of DADP and TATP with Be, Mg and Ca have been considered. Although, in the case of beryllium composites, DADP and TATP and in the magnesium composite of DADP the organic component remains intact, Ca composites of DADP and TATP undergo ring rapture. Certain structural, electronic, quantum chemical and some spectral properties of the composites have been obtained and discussed." @default.
- W4200318729 created "2021-12-31" @default.
- W4200318729 creator A5072214023 @default.
- W4200318729 date "2021-12-09" @default.
- W4200318729 modified "2023-09-26" @default.
- W4200318729 title "Comparison of Oxidative Powers of DADP and TATP - A DFT Treatise" @default.
- W4200318729 cites W2009860579 @default.
- W4200318729 cites W2022152055 @default.
- W4200318729 cites W2023271753 @default.
- W4200318729 cites W2026610578 @default.
- W4200318729 cites W2027030823 @default.
- W4200318729 cites W2038533471 @default.
- W4200318729 cites W2039652531 @default.
- W4200318729 cites W2084197057 @default.
- W4200318729 cites W2086957099 @default.
- W4200318729 cites W2096722868 @default.
- W4200318729 cites W2122380612 @default.
- W4200318729 cites W2127336290 @default.
- W4200318729 cites W2137212641 @default.
- W4200318729 cites W2146611614 @default.
- W4200318729 cites W2155358697 @default.
- W4200318729 cites W2161080387 @default.
- W4200318729 cites W2230728100 @default.
- W4200318729 cites W2324954331 @default.
- W4200318729 cites W2503005323 @default.
- W4200318729 cites W2528205549 @default.
- W4200318729 cites W2573531264 @default.
- W4200318729 cites W3207511883 @default.
- W4200318729 cites W4235918079 @default.
- W4200318729 cites W656803482 @default.
- W4200318729 doi "https://doi.org/10.34198/ejcs.7122.6780" @default.
- W4200318729 hasPublicationYear "2021" @default.
- W4200318729 type Work @default.
- W4200318729 citedByCount "0" @default.
- W4200318729 crossrefType "journal-article" @default.
- W4200318729 hasAuthorship W4200318729A5072214023 @default.
- W4200318729 hasBestOaLocation W42003187291 @default.
- W4200318729 hasConcept C185592680 @default.
- W4200318729 hasConceptScore W4200318729C185592680 @default.
- W4200318729 hasLocation W42003187291 @default.
- W4200318729 hasOpenAccess W4200318729 @default.
- W4200318729 hasPrimaryLocation W42003187291 @default.
- W4200318729 hasRelatedWork W1531601525 @default.
- W4200318729 hasRelatedWork W1990781990 @default.
- W4200318729 hasRelatedWork W2319480705 @default.
- W4200318729 hasRelatedWork W2384464875 @default.
- W4200318729 hasRelatedWork W2606230654 @default.
- W4200318729 hasRelatedWork W2607424097 @default.
- W4200318729 hasRelatedWork W2748952813 @default.
- W4200318729 hasRelatedWork W2899084033 @default.
- W4200318729 hasRelatedWork W2948807893 @default.
- W4200318729 hasRelatedWork W2778153218 @default.
- W4200318729 isParatext "false" @default.
- W4200318729 isRetracted "false" @default.
- W4200318729 workType "article" @default.