Matches in SemOpenAlex for { <https://semopenalex.org/work/W2069322669> ?p ?o ?g. }
Showing items 1 to 51 of
51
with 100 items per page.
- W2069322669 endingPage "s80" @default.
- W2069322669 startingPage "s80" @default.
- W2069322669 abstract "A disordered stacking of layers is described in terms of probabilities governing the addition of new layers to a stack. The diffuse scattering exhibited by such stacks takes the form of diffuse lines perpendicular to the layers and can be represented as a function of the stacking probabilities in closed form [1]. The corresponding expression becomes increasingly unwieldy, as the number of layers affecting the probabilities increases. In this work we have determined the probabilities with a numerical procedure based on a genetic algorithm. The crystal structure of tris(bicyclo[2.1.1ηexeno)-benzene, 1, shows layers of coplanar molecules with layer symmetry p6bar2m. Consecutive layers may assume one of three positions with probabilities depending on the position of the three preceding layers. Initially the probabilities have been estimated by visually comparing measured diffuse intensities with those calculated from a complicated analytical function of the probabilities [2]. We have redetermined these probabilities using an adaptation of a genetic algorithm described earlier [3]. The mean values and their standard deviations from 20 sets of three probabilities obtained after 113 generations of optimization are 0.08(1), 0.60(4) and 0.46(4) in good agreement with the values derived from the analytical approach, 0.08(2), 0.56(6) and 0.46(10). Although the general structure of maxima andminima is reproducedwell (Fig.1), their relative heights indicate room for further improvement of the structuralmodel, e.g. by tilting themolecules out of the plane and adjusting the displacement parameters. These quantities are presently optimized with the genetic algorithm." @default.
- W2069322669 created "2016-06-24" @default.
- W2069322669 creator A5032350280 @default.
- W2069322669 creator A5049877920 @default.
- W2069322669 date "2006-08-06" @default.
- W2069322669 modified "2023-10-16" @default.
- W2069322669 title "Analysing stacking disorder with a genetic algorithm" @default.
- W2069322669 doi "https://doi.org/10.1107/s0108767306098400" @default.
- W2069322669 hasPublicationYear "2006" @default.
- W2069322669 type Work @default.
- W2069322669 sameAs 2069322669 @default.
- W2069322669 citedByCount "0" @default.
- W2069322669 crossrefType "journal-article" @default.
- W2069322669 hasAuthorship W2069322669A5032350280 @default.
- W2069322669 hasAuthorship W2069322669A5049877920 @default.
- W2069322669 hasBestOaLocation W20693226691 @default.
- W2069322669 hasConcept C11413529 @default.
- W2069322669 hasConcept C119857082 @default.
- W2069322669 hasConcept C178790620 @default.
- W2069322669 hasConcept C185592680 @default.
- W2069322669 hasConcept C33347731 @default.
- W2069322669 hasConcept C41008148 @default.
- W2069322669 hasConcept C8880873 @default.
- W2069322669 hasConceptScore W2069322669C11413529 @default.
- W2069322669 hasConceptScore W2069322669C119857082 @default.
- W2069322669 hasConceptScore W2069322669C178790620 @default.
- W2069322669 hasConceptScore W2069322669C185592680 @default.
- W2069322669 hasConceptScore W2069322669C33347731 @default.
- W2069322669 hasConceptScore W2069322669C41008148 @default.
- W2069322669 hasConceptScore W2069322669C8880873 @default.
- W2069322669 hasIssue "a1" @default.
- W2069322669 hasLocation W20693226691 @default.
- W2069322669 hasOpenAccess W2069322669 @default.
- W2069322669 hasPrimaryLocation W20693226691 @default.
- W2069322669 hasRelatedWork W2015827995 @default.
- W2069322669 hasRelatedWork W2333698505 @default.
- W2069322669 hasRelatedWork W2351491280 @default.
- W2069322669 hasRelatedWork W2371447506 @default.
- W2069322669 hasRelatedWork W2377465662 @default.
- W2069322669 hasRelatedWork W2386372880 @default.
- W2069322669 hasRelatedWork W2386767533 @default.
- W2069322669 hasRelatedWork W2387271259 @default.
- W2069322669 hasRelatedWork W303980170 @default.
- W2069322669 hasRelatedWork W4206799304 @default.
- W2069322669 hasVolume "62" @default.
- W2069322669 isParatext "false" @default.
- W2069322669 isRetracted "false" @default.
- W2069322669 magId "2069322669" @default.
- W2069322669 workType "article" @default.