Matches in SemOpenAlex for { <https://semopenalex.org/work/W2077481963> ?p ?o ?g. }
Showing items 1 to 100 of
100
with 100 items per page.
- W2077481963 endingPage "2150" @default.
- W2077481963 startingPage "2141" @default.
- W2077481963 abstract "Molecular dynamics calculations were carried out for molten MX, AX3, and MAX4 for four different ionic radius ratios. The aim was to emulate expected properties of binary mixtures of complexing molten salts such as chloroaluminates and fluoroyttriates. The radial distribution functions were analyzed along with the distributions of the coordination numbers and of the angles of the A–A–A, A–X–A, and X–A–X triplets; these calculations yield detailed information on the nature and extent of the species in solution. The influence of changes of cation/anion radius ratios on the overall structure as well as on the formation and stability of complexes has been examined. For the two extreme values of these ratios, the nearest neighbor coordination number of A+3 ions changed from four to about six. One of the most significant conclusions is that the structure and ordering characteristic of complexing can extend beyond the local configurations of nearest neighbors and involve more distant ions. In addition, typical behavior often ascribed in the literature to covalency is detected in these simulated purely ionic melts." @default.
- W2077481963 created "2016-06-24" @default.
- W2077481963 creator A5016546056 @default.
- W2077481963 creator A5022575912 @default.
- W2077481963 creator A5047190718 @default.
- W2077481963 date "1984-03-01" @default.
- W2077481963 modified "2023-10-18" @default.
- W2077481963 title "Molecular dynamics studies of complexing in binary molten salts. I. Molten MAX4" @default.
- W2077481963 cites W1488569869 @default.
- W2077481963 cites W1978870438 @default.
- W2077481963 cites W1994324425 @default.
- W2077481963 cites W2028918174 @default.
- W2077481963 cites W2029502994 @default.
- W2077481963 cites W2032592119 @default.
- W2077481963 cites W2064682636 @default.
- W2077481963 cites W2077130904 @default.
- W2077481963 cites W2081693079 @default.
- W2077481963 cites W2082246736 @default.
- W2077481963 cites W2118287371 @default.
- W2077481963 cites W2131856003 @default.
- W2077481963 cites W2321391694 @default.
- W2077481963 doi "https://doi.org/10.1063/1.446979" @default.
- W2077481963 hasPublicationYear "1984" @default.
- W2077481963 type Work @default.
- W2077481963 sameAs 2077481963 @default.
- W2077481963 citedByCount "25" @default.
- W2077481963 countsByYear W20774819632014 @default.
- W2077481963 countsByYear W20774819632021 @default.
- W2077481963 countsByYear W20774819632022 @default.
- W2077481963 crossrefType "journal-article" @default.
- W2077481963 hasAuthorship W2077481963A5016546056 @default.
- W2077481963 hasAuthorship W2077481963A5022575912 @default.
- W2077481963 hasAuthorship W2077481963A5047190718 @default.
- W2077481963 hasConcept C121332964 @default.
- W2077481963 hasConcept C145148216 @default.
- W2077481963 hasConcept C147597530 @default.
- W2077481963 hasConcept C147789679 @default.
- W2077481963 hasConcept C154881586 @default.
- W2077481963 hasConcept C159467904 @default.
- W2077481963 hasConcept C161790260 @default.
- W2077481963 hasConcept C178635117 @default.
- W2077481963 hasConcept C178790620 @default.
- W2077481963 hasConcept C179104552 @default.
- W2077481963 hasConcept C185592680 @default.
- W2077481963 hasConcept C2182769 @default.
- W2077481963 hasConcept C2778353533 @default.
- W2077481963 hasConcept C33559828 @default.
- W2077481963 hasConcept C33923547 @default.
- W2077481963 hasConcept C38652104 @default.
- W2077481963 hasConcept C41008148 @default.
- W2077481963 hasConcept C48372109 @default.
- W2077481963 hasConcept C54998646 @default.
- W2077481963 hasConcept C59593255 @default.
- W2077481963 hasConcept C8010536 @default.
- W2077481963 hasConcept C94375191 @default.
- W2077481963 hasConcept C97355855 @default.
- W2077481963 hasConceptScore W2077481963C121332964 @default.
- W2077481963 hasConceptScore W2077481963C145148216 @default.
- W2077481963 hasConceptScore W2077481963C147597530 @default.
- W2077481963 hasConceptScore W2077481963C147789679 @default.
- W2077481963 hasConceptScore W2077481963C154881586 @default.
- W2077481963 hasConceptScore W2077481963C159467904 @default.
- W2077481963 hasConceptScore W2077481963C161790260 @default.
- W2077481963 hasConceptScore W2077481963C178635117 @default.
- W2077481963 hasConceptScore W2077481963C178790620 @default.
- W2077481963 hasConceptScore W2077481963C179104552 @default.
- W2077481963 hasConceptScore W2077481963C185592680 @default.
- W2077481963 hasConceptScore W2077481963C2182769 @default.
- W2077481963 hasConceptScore W2077481963C2778353533 @default.
- W2077481963 hasConceptScore W2077481963C33559828 @default.
- W2077481963 hasConceptScore W2077481963C33923547 @default.
- W2077481963 hasConceptScore W2077481963C38652104 @default.
- W2077481963 hasConceptScore W2077481963C41008148 @default.
- W2077481963 hasConceptScore W2077481963C48372109 @default.
- W2077481963 hasConceptScore W2077481963C54998646 @default.
- W2077481963 hasConceptScore W2077481963C59593255 @default.
- W2077481963 hasConceptScore W2077481963C8010536 @default.
- W2077481963 hasConceptScore W2077481963C94375191 @default.
- W2077481963 hasConceptScore W2077481963C97355855 @default.
- W2077481963 hasIssue "5" @default.
- W2077481963 hasLocation W20774819631 @default.
- W2077481963 hasOpenAccess W2077481963 @default.
- W2077481963 hasPrimaryLocation W20774819631 @default.
- W2077481963 hasRelatedWork W1972354329 @default.
- W2077481963 hasRelatedWork W2027206443 @default.
- W2077481963 hasRelatedWork W2033278446 @default.
- W2077481963 hasRelatedWork W2034586509 @default.
- W2077481963 hasRelatedWork W2061067851 @default.
- W2077481963 hasRelatedWork W2077481963 @default.
- W2077481963 hasRelatedWork W2083632282 @default.
- W2077481963 hasRelatedWork W2954397355 @default.
- W2077481963 hasRelatedWork W3004724820 @default.
- W2077481963 hasRelatedWork W3188219242 @default.
- W2077481963 hasVolume "80" @default.
- W2077481963 isParatext "false" @default.
- W2077481963 isRetracted "false" @default.
- W2077481963 magId "2077481963" @default.
- W2077481963 workType "article" @default.