Matches in SemOpenAlex for { <https://semopenalex.org/work/W2085947660> ?p ?o ?g. }
Showing items 1 to 91 of
91
with 100 items per page.
- W2085947660 endingPage "192" @default.
- W2085947660 startingPage "180" @default.
- W2085947660 abstract "Abstract Accurate electron densities and X-ray form factors of Li, Be, F and their ions have been calculated. Electron correlation, crystal fields and ionic charge transfer change the form factors by up to a few percent, mainly in the range of sin θ/ λ < 1/3 Â -1 . Although electron correlation and crystal fields are small perturbations, their effects on the density and form factor are not additive. Densities or form factors of atomic and ionic systems are very similar; [Li 0 F 0 ] and [Li + F - ] procrystals differ by an effective charge transfer of not more than 0.4 e. Charge transfer and charge overlap in crystals cannot be distinguished uniquely. When the experimental data on Li 2 BeF 4 (approximately reproduced by 3/4 atomic plus 1/4 ionic procrystal) are interpreted from the atomic partial charges are as low as 0.1 e (Li + 0.1 2 Be + 0.2 F - 0.1 4 ); when interpreted from the ionic viewpoint, the charges are much higher, namely 0.7 e. Intermediate viewpoints are also possible." @default.
- W2085947660 created "2016-06-24" @default.
- W2085947660 creator A5003115863 @default.
- W2085947660 creator A5009697850 @default.
- W2085947660 creator A5051807916 @default.
- W2085947660 creator A5078848184 @default.
- W2085947660 date "1993-02-01" @default.
- W2085947660 modified "2023-10-16" @default.
- W2085947660 title "Electron Density Distributions and Atomic Charges" @default.
- W2085947660 doi "https://doi.org/10.1515/zna-1993-1-237" @default.
- W2085947660 hasPublicationYear "1993" @default.
- W2085947660 type Work @default.
- W2085947660 sameAs 2085947660 @default.
- W2085947660 citedByCount "10" @default.
- W2085947660 countsByYear W20859476602013 @default.
- W2085947660 countsByYear W20859476602016 @default.
- W2085947660 crossrefType "journal-article" @default.
- W2085947660 hasAuthorship W2085947660A5003115863 @default.
- W2085947660 hasAuthorship W2085947660A5009697850 @default.
- W2085947660 hasAuthorship W2085947660A5051807916 @default.
- W2085947660 hasAuthorship W2085947660A5078848184 @default.
- W2085947660 hasBestOaLocation W20859476601 @default.
- W2085947660 hasConcept C121332964 @default.
- W2085947660 hasConcept C123669783 @default.
- W2085947660 hasConcept C125485243 @default.
- W2085947660 hasConcept C145148216 @default.
- W2085947660 hasConcept C147120987 @default.
- W2085947660 hasConcept C147789679 @default.
- W2085947660 hasConcept C150708132 @default.
- W2085947660 hasConcept C159985019 @default.
- W2085947660 hasConcept C178790620 @default.
- W2085947660 hasConcept C184779094 @default.
- W2085947660 hasConcept C185592680 @default.
- W2085947660 hasConcept C188082385 @default.
- W2085947660 hasConcept C192562407 @default.
- W2085947660 hasConcept C198054911 @default.
- W2085947660 hasConcept C199360897 @default.
- W2085947660 hasConcept C204323151 @default.
- W2085947660 hasConcept C2182769 @default.
- W2085947660 hasConcept C2781285689 @default.
- W2085947660 hasConcept C2993376436 @default.
- W2085947660 hasConcept C2993467848 @default.
- W2085947660 hasConcept C32909587 @default.
- W2085947660 hasConcept C35052450 @default.
- W2085947660 hasConcept C41008148 @default.
- W2085947660 hasConcept C62520636 @default.
- W2085947660 hasConceptScore W2085947660C121332964 @default.
- W2085947660 hasConceptScore W2085947660C123669783 @default.
- W2085947660 hasConceptScore W2085947660C125485243 @default.
- W2085947660 hasConceptScore W2085947660C145148216 @default.
- W2085947660 hasConceptScore W2085947660C147120987 @default.
- W2085947660 hasConceptScore W2085947660C147789679 @default.
- W2085947660 hasConceptScore W2085947660C150708132 @default.
- W2085947660 hasConceptScore W2085947660C159985019 @default.
- W2085947660 hasConceptScore W2085947660C178790620 @default.
- W2085947660 hasConceptScore W2085947660C184779094 @default.
- W2085947660 hasConceptScore W2085947660C185592680 @default.
- W2085947660 hasConceptScore W2085947660C188082385 @default.
- W2085947660 hasConceptScore W2085947660C192562407 @default.
- W2085947660 hasConceptScore W2085947660C198054911 @default.
- W2085947660 hasConceptScore W2085947660C199360897 @default.
- W2085947660 hasConceptScore W2085947660C204323151 @default.
- W2085947660 hasConceptScore W2085947660C2182769 @default.
- W2085947660 hasConceptScore W2085947660C2781285689 @default.
- W2085947660 hasConceptScore W2085947660C2993376436 @default.
- W2085947660 hasConceptScore W2085947660C2993467848 @default.
- W2085947660 hasConceptScore W2085947660C32909587 @default.
- W2085947660 hasConceptScore W2085947660C35052450 @default.
- W2085947660 hasConceptScore W2085947660C41008148 @default.
- W2085947660 hasConceptScore W2085947660C62520636 @default.
- W2085947660 hasIssue "1-2" @default.
- W2085947660 hasLocation W20859476601 @default.
- W2085947660 hasOpenAccess W2085947660 @default.
- W2085947660 hasPrimaryLocation W20859476601 @default.
- W2085947660 hasRelatedWork W2002198459 @default.
- W2085947660 hasRelatedWork W2014974771 @default.
- W2085947660 hasRelatedWork W2043327005 @default.
- W2085947660 hasRelatedWork W2082981398 @default.
- W2085947660 hasRelatedWork W2083531937 @default.
- W2085947660 hasRelatedWork W2084945876 @default.
- W2085947660 hasRelatedWork W2101361362 @default.
- W2085947660 hasRelatedWork W2106893655 @default.
- W2085947660 hasRelatedWork W2316288355 @default.
- W2085947660 hasRelatedWork W2405910106 @default.
- W2085947660 hasVolume "48" @default.
- W2085947660 isParatext "false" @default.
- W2085947660 isRetracted "false" @default.
- W2085947660 magId "2085947660" @default.
- W2085947660 workType "article" @default.