Matches in SemOpenAlex for { <https://semopenalex.org/work/W1490298364> ?p ?o ?g. }
Showing items 1 to 93 of
93
with 100 items per page.
- W1490298364 endingPage "304" @default.
- W1490298364 startingPage "295" @default.
- W1490298364 abstract "The conformation, the chain packing stabilization and the unit cell modeling of poly(p-phenylene benzobisthiazole) have been investigated by using molecular simulation techniquein the present work. A coupling behaviour of σ-bond rotations at either side of the pheny-lene ring or the heterocyclic ring was found surely to exceed a length of the repeat unit ofthe polymer chain. For a single chain model, the stable torsion angle of the repeat resultedat 14°. In the crystalline cell minimization, the dihedral angle along the polymer chaincould even be stabilized in various values. It therefore indicates that the intermolecularinteraction does play a considerable role for this polymer forming the conformation. Ac-cording to cohesive energies calculated for these unit cell models, the torsion angle in themost stable crystalline cell is 0°. When the chains packing together, there exist so manyenergy stable wells along the chain axis 0.35--0.36nm apart from neighbouring chains.Most of the unit cells have quite closed cohesive energies. These factors thus cause thedifficulty of forming an unique perfect crystalline structure of the polymer. The presentstudy suggested a number of reasonable unit cells, and the most stable crystalline structurefor this polymer that is monoclinic, non-primitive unit cell." @default.
- W1490298364 created "2016-06-24" @default.
- W1490298364 creator A5032210071 @default.
- W1490298364 creator A5076761555 @default.
- W1490298364 creator A5090787250 @default.
- W1490298364 date "1997-12-20" @default.
- W1490298364 modified "2023-09-24" @default.
- W1490298364 title "CONFORMATION AND CHAIN PACKING STRUCTURES OF POLY (ρ-PHENYLEN BENZOBISTHIAZOLE) BY MOLECULAR SIMULATION *" @default.
- W1490298364 hasPublicationYear "1997" @default.
- W1490298364 type Work @default.
- W1490298364 sameAs 1490298364 @default.
- W1490298364 citedByCount "0" @default.
- W1490298364 crossrefType "journal-article" @default.
- W1490298364 hasAuthorship W1490298364A5032210071 @default.
- W1490298364 hasAuthorship W1490298364A5076761555 @default.
- W1490298364 hasAuthorship W1490298364A5090787250 @default.
- W1490298364 hasConcept C112887158 @default.
- W1490298364 hasConcept C115624301 @default.
- W1490298364 hasConcept C121332964 @default.
- W1490298364 hasConcept C122637931 @default.
- W1490298364 hasConcept C1276947 @default.
- W1490298364 hasConcept C141071460 @default.
- W1490298364 hasConcept C145420912 @default.
- W1490298364 hasConcept C159985019 @default.
- W1490298364 hasConcept C178790620 @default.
- W1490298364 hasConcept C185592680 @default.
- W1490298364 hasConcept C192562407 @default.
- W1490298364 hasConcept C199185054 @default.
- W1490298364 hasConcept C204921945 @default.
- W1490298364 hasConcept C2776026683 @default.
- W1490298364 hasConcept C2780378348 @default.
- W1490298364 hasConcept C32909587 @default.
- W1490298364 hasConcept C33923547 @default.
- W1490298364 hasConcept C521977710 @default.
- W1490298364 hasConcept C61276311 @default.
- W1490298364 hasConcept C71924100 @default.
- W1490298364 hasConcept C77461463 @default.
- W1490298364 hasConcept C8010536 @default.
- W1490298364 hasConcept C89025888 @default.
- W1490298364 hasConceptScore W1490298364C112887158 @default.
- W1490298364 hasConceptScore W1490298364C115624301 @default.
- W1490298364 hasConceptScore W1490298364C121332964 @default.
- W1490298364 hasConceptScore W1490298364C122637931 @default.
- W1490298364 hasConceptScore W1490298364C1276947 @default.
- W1490298364 hasConceptScore W1490298364C141071460 @default.
- W1490298364 hasConceptScore W1490298364C145420912 @default.
- W1490298364 hasConceptScore W1490298364C159985019 @default.
- W1490298364 hasConceptScore W1490298364C178790620 @default.
- W1490298364 hasConceptScore W1490298364C185592680 @default.
- W1490298364 hasConceptScore W1490298364C192562407 @default.
- W1490298364 hasConceptScore W1490298364C199185054 @default.
- W1490298364 hasConceptScore W1490298364C204921945 @default.
- W1490298364 hasConceptScore W1490298364C2776026683 @default.
- W1490298364 hasConceptScore W1490298364C2780378348 @default.
- W1490298364 hasConceptScore W1490298364C32909587 @default.
- W1490298364 hasConceptScore W1490298364C33923547 @default.
- W1490298364 hasConceptScore W1490298364C521977710 @default.
- W1490298364 hasConceptScore W1490298364C61276311 @default.
- W1490298364 hasConceptScore W1490298364C71924100 @default.
- W1490298364 hasConceptScore W1490298364C77461463 @default.
- W1490298364 hasConceptScore W1490298364C8010536 @default.
- W1490298364 hasConceptScore W1490298364C89025888 @default.
- W1490298364 hasIssue "4" @default.
- W1490298364 hasLocation W14902983641 @default.
- W1490298364 hasOpenAccess W1490298364 @default.
- W1490298364 hasPrimaryLocation W14902983641 @default.
- W1490298364 hasRelatedWork W113581300 @default.
- W1490298364 hasRelatedWork W125297361 @default.
- W1490298364 hasRelatedWork W1885857498 @default.
- W1490298364 hasRelatedWork W1972539615 @default.
- W1490298364 hasRelatedWork W1974371379 @default.
- W1490298364 hasRelatedWork W1978031832 @default.
- W1490298364 hasRelatedWork W1983455935 @default.
- W1490298364 hasRelatedWork W1984378819 @default.
- W1490298364 hasRelatedWork W2004337918 @default.
- W1490298364 hasRelatedWork W2009816558 @default.
- W1490298364 hasRelatedWork W2015454410 @default.
- W1490298364 hasRelatedWork W2024102288 @default.
- W1490298364 hasRelatedWork W2044363362 @default.
- W1490298364 hasRelatedWork W2058619574 @default.
- W1490298364 hasRelatedWork W2066273677 @default.
- W1490298364 hasRelatedWork W2279275399 @default.
- W1490298364 hasRelatedWork W2312214422 @default.
- W1490298364 hasRelatedWork W2586967829 @default.
- W1490298364 hasRelatedWork W2996130873 @default.
- W1490298364 hasRelatedWork W953533351 @default.
- W1490298364 hasVolume "15" @default.
- W1490298364 isParatext "false" @default.
- W1490298364 isRetracted "false" @default.
- W1490298364 magId "1490298364" @default.
- W1490298364 workType "article" @default.