Matches in SemOpenAlex for { <https://semopenalex.org/work/W2751668114> ?p ?o ?g. }
Showing items 1 to 85 of
85
with 100 items per page.
- W2751668114 endingPage "256" @default.
- W2751668114 startingPage "250" @default.
- W2751668114 abstract "In this research 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) were attached with different nano structures of fullerene with 20, 24 and 60 carbons producing nano structures with diverse molecular weights. Then by the use of density functional theory methods, thermodynamic parameters of TATB with foregoing nanostructures, in wide of temperature, between 300-400 oK were computed. To this purpose, the materials on both sides of suggested synthesis reactions were geometrically optimized, and then, the calculations of the thermodynamic parameters were performed on all of them. The values of enthalpy, Gibbs free energy and Specific heat capacity for these reactions were obtained. Also important parameters such as energy levels, the amount of HOMO/LUMO values and related parameters including electrophilicity scale, chemical hardness, chemical potential, and the maximum amount of electronic charge transferred were derived. Finally, the effect of type and molecular weight of nano structure fullerene (C20, C24, C60) on explosion properties and other chemical properties of TATB were evaluated." @default.
- W2751668114 created "2017-09-15" @default.
- W2751668114 creator A5047956213 @default.
- W2751668114 date "2017-07-01" @default.
- W2751668114 modified "2023-09-22" @default.
- W2751668114 title "Study of thermodynamic parameters of (TATB) and its fullerene derivatives with different number of Carbon (C20, C24, C60), in different conditions of temperature, using density functional theory" @default.
- W2751668114 hasPublicationYear "2017" @default.
- W2751668114 type Work @default.
- W2751668114 sameAs 2751668114 @default.
- W2751668114 citedByCount "0" @default.
- W2751668114 crossrefType "journal-article" @default.
- W2751668114 hasAuthorship W2751668114A5047956213 @default.
- W2751668114 hasConcept C104779481 @default.
- W2751668114 hasConcept C121332964 @default.
- W2751668114 hasConcept C140205800 @default.
- W2751668114 hasConcept C14158195 @default.
- W2751668114 hasConcept C146477669 @default.
- W2751668114 hasConcept C147597530 @default.
- W2751668114 hasConcept C147789679 @default.
- W2751668114 hasConcept C152365726 @default.
- W2751668114 hasConcept C154238967 @default.
- W2751668114 hasConcept C159985019 @default.
- W2751668114 hasConcept C162862793 @default.
- W2751668114 hasConcept C178790620 @default.
- W2751668114 hasConcept C185592680 @default.
- W2751668114 hasConcept C186399102 @default.
- W2751668114 hasConcept C192562407 @default.
- W2751668114 hasConcept C203397868 @default.
- W2751668114 hasConcept C2777009965 @default.
- W2751668114 hasConcept C3288061 @default.
- W2751668114 hasConcept C32909587 @default.
- W2751668114 hasConcept C60205243 @default.
- W2751668114 hasConcept C97355855 @default.
- W2751668114 hasConceptScore W2751668114C104779481 @default.
- W2751668114 hasConceptScore W2751668114C121332964 @default.
- W2751668114 hasConceptScore W2751668114C140205800 @default.
- W2751668114 hasConceptScore W2751668114C14158195 @default.
- W2751668114 hasConceptScore W2751668114C146477669 @default.
- W2751668114 hasConceptScore W2751668114C147597530 @default.
- W2751668114 hasConceptScore W2751668114C147789679 @default.
- W2751668114 hasConceptScore W2751668114C152365726 @default.
- W2751668114 hasConceptScore W2751668114C154238967 @default.
- W2751668114 hasConceptScore W2751668114C159985019 @default.
- W2751668114 hasConceptScore W2751668114C162862793 @default.
- W2751668114 hasConceptScore W2751668114C178790620 @default.
- W2751668114 hasConceptScore W2751668114C185592680 @default.
- W2751668114 hasConceptScore W2751668114C186399102 @default.
- W2751668114 hasConceptScore W2751668114C192562407 @default.
- W2751668114 hasConceptScore W2751668114C203397868 @default.
- W2751668114 hasConceptScore W2751668114C2777009965 @default.
- W2751668114 hasConceptScore W2751668114C3288061 @default.
- W2751668114 hasConceptScore W2751668114C32909587 @default.
- W2751668114 hasConceptScore W2751668114C60205243 @default.
- W2751668114 hasConceptScore W2751668114C97355855 @default.
- W2751668114 hasIssue "3" @default.
- W2751668114 hasLocation W27516681141 @default.
- W2751668114 hasOpenAccess W2751668114 @default.
- W2751668114 hasPrimaryLocation W27516681141 @default.
- W2751668114 hasRelatedWork W1597139207 @default.
- W2751668114 hasRelatedWork W1999124541 @default.
- W2751668114 hasRelatedWork W2018647554 @default.
- W2751668114 hasRelatedWork W2025455595 @default.
- W2751668114 hasRelatedWork W2031530670 @default.
- W2751668114 hasRelatedWork W2043601088 @default.
- W2751668114 hasRelatedWork W2085525534 @default.
- W2751668114 hasRelatedWork W2091931973 @default.
- W2751668114 hasRelatedWork W2092839739 @default.
- W2751668114 hasRelatedWork W2107622559 @default.
- W2751668114 hasRelatedWork W2351405868 @default.
- W2751668114 hasRelatedWork W2365404369 @default.
- W2751668114 hasRelatedWork W2380314770 @default.
- W2751668114 hasRelatedWork W2382795833 @default.
- W2751668114 hasRelatedWork W2394451462 @default.
- W2751668114 hasRelatedWork W2762861841 @default.
- W2751668114 hasRelatedWork W2889619444 @default.
- W2751668114 hasRelatedWork W2898091799 @default.
- W2751668114 hasRelatedWork W3209725569 @default.
- W2751668114 hasRelatedWork W2461444708 @default.
- W2751668114 hasVolume "8" @default.
- W2751668114 isParatext "false" @default.
- W2751668114 isRetracted "false" @default.
- W2751668114 magId "2751668114" @default.
- W2751668114 workType "article" @default.