FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2282022012> ?p ?o ?g. }

• W2282022012 endingPage "4752" @default.
• W2282022012 startingPage "4744" @default.
• W2282022012 abstract "The development of a reactive force field (ReaxFF formalism) for hydrazoic acid (HN3), a highly sensitive liquid energetic material, is reported. The force field accurately reproduces results of density functional theory (DFT) calculations. The quality and performance of the force field are examined by detailed comparison with DFT calculations related to uni, bi, and trimolecular thermal decomposition routes. Reactive molecular dynamics (RMD) simulations are performed to reveal the initial chemical events governing the detonation chemistry of liquid HN3. The outcome of these simulations compares very well with recent results of tight-binding DFT molecular dynamics and thermodynamic calculations. On the basis of our RMD simulations, predictions were made for the activation energies and volumes in a broad range of temperatures and initial material compressions." @default.
• W2282022012 created "2016-06-24" @default.
• W2282022012 creator A5009771407 @default.
• W2282022012 creator A5015208085 @default.
• W2282022012 creator A5032717889 @default.
• W2282022012 creator A5077401838 @default.
• W2282022012 creator A5086549023 @default.
• W2282022012 date "2016-02-24" @default.
• W2282022012 modified "2023-09-25" @default.
• W2282022012 title "Reactive Force Field for Liquid Hydrazoic Acid with Applications to Detonation Chemistry" @default.
• W2282022012 cites W1968074325 @default.
• W2282022012 cites W1971698744 @default.
• W2282022012 cites W1972388754 @default.
• W2282022012 cites W1972758026 @default.
• W2282022012 cites W1978420893 @default.
• W2282022012 cites W1981056065 @default.
• W2282022012 cites W1987923991 @default.
• W2282022012 cites W2018501523 @default.
• W2282022012 cites W2019233349 @default.
• W2282022012 cites W2019465613 @default.
• W2282022012 cites W2021143320 @default.
• W2282022012 cites W2033986072 @default.
• W2282022012 cites W2035266068 @default.
• W2282022012 cites W2051622977 @default.
• W2282022012 cites W2055947483 @default.
• W2282022012 cites W2060777732 @default.
• W2282022012 cites W2062852634 @default.
• W2282022012 cites W2065603227 @default.
• W2282022012 cites W2068208469 @default.
• W2282022012 cites W2069006374 @default.
• W2282022012 cites W2077160592 @default.
• W2282022012 cites W2124236867 @default.
• W2282022012 cites W2134771096 @default.
• W2282022012 cites W2134885154 @default.
• W2282022012 cites W2135594462 @default.
• W2282022012 cites W2148625782 @default.
• W2282022012 cites W2155155530 @default.
• W2282022012 cites W2155766667 @default.
• W2282022012 cites W2170006871 @default.
• W2282022012 cites W2312405795 @default.
• W2282022012 cites W2318488190 @default.
• W2282022012 cites W2319117604 @default.
• W2282022012 cites W2331168540 @default.
• W2282022012 doi "https://doi.org/10.1021/acs.jpcc.5b10812" @default.
• W2282022012 hasPublicationYear "2016" @default.
• W2282022012 type Work @default.
• W2282022012 sameAs 2282022012 @default.
• W2282022012 citedByCount "18" @default.
• W2282022012 countsByYear W22820220122016 @default.
• W2282022012 countsByYear W22820220122017 @default.
• W2282022012 countsByYear W22820220122018 @default.
• W2282022012 countsByYear W22820220122019 @default.
• W2282022012 countsByYear W22820220122020 @default.
• W2282022012 countsByYear W22820220122021 @default.
• W2282022012 countsByYear W22820220122022 @default.
• W2282022012 countsByYear W22820220122023 @default.
• W2282022012 crossrefType "journal-article" @default.
• W2282022012 hasAuthorship W2282022012A5009771407 @default.
• W2282022012 hasAuthorship W2282022012A5015208085 @default.
• W2282022012 hasAuthorship W2282022012A5032717889 @default.
• W2282022012 hasAuthorship W2282022012A5077401838 @default.
• W2282022012 hasAuthorship W2282022012A5086549023 @default.
• W2282022012 hasConcept C10803110 @default.
• W2282022012 hasConcept C154238967 @default.
• W2282022012 hasConcept C154945302 @default.
• W2282022012 hasConcept C161790260 @default.
• W2282022012 hasConcept C171250308 @default.
• W2282022012 hasConcept C178790620 @default.
• W2282022012 hasConcept C185592680 @default.
• W2282022012 hasConcept C192562407 @default.
• W2282022012 hasConcept C192937433 @default.
• W2282022012 hasConcept C202444582 @default.
• W2282022012 hasConcept C203397868 @default.
• W2282022012 hasConcept C2779632193 @default.
• W2282022012 hasConcept C33923547 @default.
• W2282022012 hasConcept C41008148 @default.
• W2282022012 hasConcept C9652623 @default.
• W2282022012 hasConceptScore W2282022012C10803110 @default.
• W2282022012 hasConceptScore W2282022012C154238967 @default.
• W2282022012 hasConceptScore W2282022012C154945302 @default.
• W2282022012 hasConceptScore W2282022012C161790260 @default.
• W2282022012 hasConceptScore W2282022012C171250308 @default.
• W2282022012 hasConceptScore W2282022012C178790620 @default.
• W2282022012 hasConceptScore W2282022012C185592680 @default.
• W2282022012 hasConceptScore W2282022012C192562407 @default.
• W2282022012 hasConceptScore W2282022012C192937433 @default.
• W2282022012 hasConceptScore W2282022012C202444582 @default.
• W2282022012 hasConceptScore W2282022012C203397868 @default.
• W2282022012 hasConceptScore W2282022012C2779632193 @default.
• W2282022012 hasConceptScore W2282022012C33923547 @default.
• W2282022012 hasConceptScore W2282022012C41008148 @default.
• W2282022012 hasConceptScore W2282022012C9652623 @default.
• W2282022012 hasFunder F4320332664 @default.
• W2282022012 hasIssue "9" @default.
• W2282022012 hasLocation W22820220121 @default.
• W2282022012 hasOpenAccess W2282022012 @default.
• W2282022012 hasPrimaryLocation W22820220121 @default.
• W2282022012 hasRelatedWork W1969788682 @default.

• next