Matches in SemOpenAlex for { <https://semopenalex.org/work/W804924849> ?p ?o ?g. }
Showing items 1 to 91 of
91
with 100 items per page.
- W804924849 endingPage "111" @default.
- W804924849 startingPage "108" @default.
- W804924849 abstract "The rotational isomeric state(RIS) model was constructed for poly(vinylidene chloride)(PVDC) based on quantum chemistry calculations. The statistical weighted parameters were obtained from RIS representations and ab initio energies of conformers for model molecules 2,2,4,4-tetrachloropentane(TCP) and 2,2,4,4,6, 6-hexachlorohep- tane(HCH). By employing the RIS method, the characteristic ratio C∞ was calculated for PVDC. The calculated cha- racteristic ratio for PVDC is in good agreement with experiment result. Additionally, we studied the influence of the statistical weighted parameters on C∞ by calculating δC∞/δlnw. According to the values of δC∞/δlnw, the effects of second-order Cl―CH2 pentane type interaction and Cl―Cl long range interaction on C∞ were found to be important. In contrast, first-order interaction is unimportant. Keywords Ab initio calculations; Characteristic ratio; Poly(vinylidene chloride) Article ID 1005-9040(2009)-01-108-04" @default.
- W804924849 created "2016-06-24" @default.
- W804924849 creator A5001978013 @default.
- W804924849 creator A5025879011 @default.
- W804924849 creator A5043195981 @default.
- W804924849 creator A5052391310 @default.
- W804924849 creator A5053780153 @default.
- W804924849 creator A5071801677 @default.
- W804924849 creator A5071858578 @default.
- W804924849 creator A5090079801 @default.
- W804924849 date "2009-01-01" @default.
- W804924849 modified "2023-09-26" @default.
- W804924849 title "Rotational Isomeric State Model of Poly（vinylidene chloride） Based Upon ab Initio Electronic Structure Calculations" @default.
- W804924849 cites W1501283731 @default.
- W804924849 cites W1999479012 @default.
- W804924849 hasPublicationYear "2009" @default.
- W804924849 type Work @default.
- W804924849 sameAs 804924849 @default.
- W804924849 citedByCount "0" @default.
- W804924849 crossrefType "journal-article" @default.
- W804924849 hasAuthorship W804924849A5001978013 @default.
- W804924849 hasAuthorship W804924849A5025879011 @default.
- W804924849 hasAuthorship W804924849A5043195981 @default.
- W804924849 hasAuthorship W804924849A5052391310 @default.
- W804924849 hasAuthorship W804924849A5053780153 @default.
- W804924849 hasAuthorship W804924849A5071801677 @default.
- W804924849 hasAuthorship W804924849A5071858578 @default.
- W804924849 hasAuthorship W804924849A5090079801 @default.
- W804924849 hasConcept C121332964 @default.
- W804924849 hasConcept C147597530 @default.
- W804924849 hasConcept C147789679 @default.
- W804924849 hasConcept C178790620 @default.
- W804924849 hasConcept C183971685 @default.
- W804924849 hasConcept C184779094 @default.
- W804924849 hasConcept C185592680 @default.
- W804924849 hasConcept C18705241 @default.
- W804924849 hasConcept C22994065 @default.
- W804924849 hasConcept C2777589835 @default.
- W804924849 hasConcept C2778695967 @default.
- W804924849 hasConcept C2781442258 @default.
- W804924849 hasConcept C32909587 @default.
- W804924849 hasConcept C69523127 @default.
- W804924849 hasConcept C8010536 @default.
- W804924849 hasConcept C93275456 @default.
- W804924849 hasConceptScore W804924849C121332964 @default.
- W804924849 hasConceptScore W804924849C147597530 @default.
- W804924849 hasConceptScore W804924849C147789679 @default.
- W804924849 hasConceptScore W804924849C178790620 @default.
- W804924849 hasConceptScore W804924849C183971685 @default.
- W804924849 hasConceptScore W804924849C184779094 @default.
- W804924849 hasConceptScore W804924849C185592680 @default.
- W804924849 hasConceptScore W804924849C18705241 @default.
- W804924849 hasConceptScore W804924849C22994065 @default.
- W804924849 hasConceptScore W804924849C2777589835 @default.
- W804924849 hasConceptScore W804924849C2778695967 @default.
- W804924849 hasConceptScore W804924849C2781442258 @default.
- W804924849 hasConceptScore W804924849C32909587 @default.
- W804924849 hasConceptScore W804924849C69523127 @default.
- W804924849 hasConceptScore W804924849C8010536 @default.
- W804924849 hasConceptScore W804924849C93275456 @default.
- W804924849 hasIssue "1" @default.
- W804924849 hasLocation W8049248491 @default.
- W804924849 hasOpenAccess W804924849 @default.
- W804924849 hasPrimaryLocation W8049248491 @default.
- W804924849 hasRelatedWork W1925205981 @default.
- W804924849 hasRelatedWork W1979180914 @default.
- W804924849 hasRelatedWork W1979954891 @default.
- W804924849 hasRelatedWork W1980254782 @default.
- W804924849 hasRelatedWork W1988507775 @default.
- W804924849 hasRelatedWork W1994847561 @default.
- W804924849 hasRelatedWork W1995434693 @default.
- W804924849 hasRelatedWork W2000718654 @default.
- W804924849 hasRelatedWork W2036716186 @default.
- W804924849 hasRelatedWork W2048189414 @default.
- W804924849 hasRelatedWork W2053380681 @default.
- W804924849 hasRelatedWork W2064063583 @default.
- W804924849 hasRelatedWork W2065185405 @default.
- W804924849 hasRelatedWork W2077321701 @default.
- W804924849 hasRelatedWork W2091804633 @default.
- W804924849 hasRelatedWork W2331406043 @default.
- W804924849 hasRelatedWork W2348732278 @default.
- W804924849 hasRelatedWork W2478054277 @default.
- W804924849 hasRelatedWork W3147169594 @default.
- W804924849 hasRelatedWork W570597794 @default.
- W804924849 hasVolume "25" @default.
- W804924849 isParatext "false" @default.
- W804924849 isRetracted "false" @default.
- W804924849 magId "804924849" @default.
- W804924849 workType "article" @default.