FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4386583427> ?p ?o ?g. }

• W4386583427 abstract "Large-scale data demonstrates great significance for the discovery of novel energetic materials (EMs). However, the open-source databases of EMs are not readily available. In pursuit of high-performance EMs before synthetic attempts in the laboratory, the theoretically predicted properties and experimental results that can be easily accessed are desired. Herein, a benchmark informatics platform of EMs, namely EM Database, has been developed for the purpose of data storage and sharing. EM Database v1.0 currently contains the properties of approximately 100000 unique compounds obtained through quantum chemistry (QC) calculations and the experimental results of about 10000 unique compounds extracted from literature. The QC data in the database were extracted via ground-state density functional calculations using the B3LYP/6-31G(d,p) method. These data include geometrical conformation, electronic structures, and predicted properties (i.e., crystal density, enthalpy of sublimation, molar heat of formation, detonation pressure, detonation velocity, detonation heat, and detonation volume) obtained using models of quantitative structure-property relationships. The experimental data were manually collected from literature and were then doubly curated by our project team members. These data include the physicochemical, thermal, combustion, detonation, spectra, and sensitivity properties. In this paper, we also discuss the techniques for constructing the EM Database and present the fundamental features of the database. The EM Database is expected to serve as an effective benchmark informatics platform for forthcoming research on EMs." @default.
• W4386583427 created "2023-09-11" @default.
• W4386583427 creator A5001066095 @default.
• W4386583427 creator A5001989498 @default.
• W4386583427 creator A5007116484 @default.
• W4386583427 creator A5032223432 @default.
• W4386583427 creator A5055966853 @default.
• W4386583427 date "2023-09-01" @default.
• W4386583427 modified "2023-09-26" @default.
• W4386583427 title "EM Database v1.0: A benchmark informatics platform for data-driven discovery of energetic materials" @default.
• W4386583427 cites W2018624150 @default.
• W4386583427 cites W2026700345 @default.
• W4386583427 cites W2036966618 @default.
• W4386583427 cites W2045332123 @default.
• W4386583427 cites W2123306226 @default.
• W4386583427 cites W2148284063 @default.
• W4386583427 cites W2478815458 @default.
• W4386583427 cites W2613900957 @default.
• W4386583427 cites W2727488492 @default.
• W4386583427 cites W2735246657 @default.
• W4386583427 cites W2782488992 @default.
• W4386583427 cites W2883528235 @default.
• W4386583427 cites W2884430236 @default.
• W4386583427 cites W2965265209 @default.
• W4386583427 cites W3090892334 @default.
• W4386583427 cites W3093008122 @default.
• W4386583427 cites W3094595762 @default.
• W4386583427 cites W3108004614 @default.
• W4386583427 cites W3135739046 @default.
• W4386583427 cites W3153808125 @default.
• W4386583427 cites W3176629340 @default.
• W4386583427 cites W3206458320 @default.
• W4386583427 cites W3210751213 @default.
• W4386583427 cites W3215238431 @default.
• W4386583427 cites W3216640610 @default.
• W4386583427 cites W4225994655 @default.
• W4386583427 cites W4280588247 @default.
• W4386583427 cites W4291929898 @default.
• W4386583427 cites W4292787116 @default.
• W4386583427 cites W4313389157 @default.
• W4386583427 doi "https://doi.org/10.1016/j.enmf.2023.09.002" @default.
• W4386583427 hasPublicationYear "2023" @default.
• W4386583427 type Work @default.
• W4386583427 citedByCount "0" @default.
• W4386583427 crossrefType "journal-article" @default.
• W4386583427 hasAuthorship W4386583427A5001066095 @default.
• W4386583427 hasAuthorship W4386583427A5001989498 @default.
• W4386583427 hasAuthorship W4386583427A5007116484 @default.
• W4386583427 hasAuthorship W4386583427A5032223432 @default.
• W4386583427 hasAuthorship W4386583427A5055966853 @default.
• W4386583427 hasBestOaLocation W43865834271 @default.
• W4386583427 hasConcept C105795698 @default.
• W4386583427 hasConcept C105923489 @default.
• W4386583427 hasConcept C124101348 @default.
• W4386583427 hasConcept C13280743 @default.
• W4386583427 hasConcept C147789679 @default.
• W4386583427 hasConcept C154238967 @default.
• W4386583427 hasConcept C178790620 @default.
• W4386583427 hasConcept C185592680 @default.
• W4386583427 hasConcept C185798385 @default.
• W4386583427 hasConcept C192562407 @default.
• W4386583427 hasConcept C203397868 @default.
• W4386583427 hasConcept C205649164 @default.
• W4386583427 hasConcept C2779171751 @default.
• W4386583427 hasConcept C33923547 @default.
• W4386583427 hasConcept C41008148 @default.
• W4386583427 hasConcept C55037315 @default.
• W4386583427 hasConcept C77088390 @default.
• W4386583427 hasConceptScore W4386583427C105795698 @default.
• W4386583427 hasConceptScore W4386583427C105923489 @default.
• W4386583427 hasConceptScore W4386583427C124101348 @default.
• W4386583427 hasConceptScore W4386583427C13280743 @default.
• W4386583427 hasConceptScore W4386583427C147789679 @default.
• W4386583427 hasConceptScore W4386583427C154238967 @default.
• W4386583427 hasConceptScore W4386583427C178790620 @default.
• W4386583427 hasConceptScore W4386583427C185592680 @default.
• W4386583427 hasConceptScore W4386583427C185798385 @default.
• W4386583427 hasConceptScore W4386583427C192562407 @default.
• W4386583427 hasConceptScore W4386583427C203397868 @default.
• W4386583427 hasConceptScore W4386583427C205649164 @default.
• W4386583427 hasConceptScore W4386583427C2779171751 @default.
• W4386583427 hasConceptScore W4386583427C33923547 @default.
• W4386583427 hasConceptScore W4386583427C41008148 @default.
• W4386583427 hasConceptScore W4386583427C55037315 @default.
• W4386583427 hasConceptScore W4386583427C77088390 @default.
• W4386583427 hasLocation W43865834271 @default.
• W4386583427 hasOpenAccess W4386583427 @default.
• W4386583427 hasPrimaryLocation W43865834271 @default.
• W4386583427 hasRelatedWork W1997754687 @default.
• W4386583427 hasRelatedWork W2004378908 @default.
• W4386583427 hasRelatedWork W2038110916 @default.
• W4386583427 hasRelatedWork W2341103820 @default.
• W4386583427 hasRelatedWork W2379027454 @default.
• W4386583427 hasRelatedWork W2624348082 @default.
• W4386583427 hasRelatedWork W2776915805 @default.
• W4386583427 hasRelatedWork W2899084033 @default.
• W4386583427 hasRelatedWork W2923610432 @default.
• W4386583427 hasRelatedWork W2993300510 @default.
• W4386583427 isParatext "false" @default.
• W4386583427 isRetracted "false" @default.

• next