Matches in SemOpenAlex for { <https://semopenalex.org/work/W2257752020> ?p ?o ?g. }
Showing items 1 to 80 of
80
with 100 items per page.
- W2257752020 endingPage "23" @default.
- W2257752020 startingPage "16" @default.
- W2257752020 abstract "A DFT study of H2 dissociation on a series of MoxSy clusters was performed, including homolytic and heterolyticdissociation. The preference for the two pathways on these models show much difference, as the Mo coordination numberincreases, the homolytic dissociation becomes easier, whereas the heterolytic dissociation becomes more difficult. Furthermore,frontier orbital theory was used to analyze the dissociation mechanisms of these two pathways. It was found that thesymmetry and energy gap of MoxSy＇s HOMO and H2＇s LUMO are the decisive factors in H2 activation." @default.
- W2257752020 created "2016-06-24" @default.
- W2257752020 creator A5009128224 @default.
- W2257752020 creator A5017377137 @default.
- W2257752020 creator A5023539921 @default.
- W2257752020 creator A5032245741 @default.
- W2257752020 creator A5037386103 @default.
- W2257752020 creator A5053780153 @default.
- W2257752020 creator A5054657893 @default.
- W2257752020 creator A5060073997 @default.
- W2257752020 creator A5083320053 @default.
- W2257752020 date "2015-01-01" @default.
- W2257752020 modified "2023-09-26" @default.
- W2257752020 title "DFT Study of H2 Dissociation on MoxSy Clusters" @default.
- W2257752020 hasPublicationYear "2015" @default.
- W2257752020 type Work @default.
- W2257752020 sameAs 2257752020 @default.
- W2257752020 citedByCount "0" @default.
- W2257752020 crossrefType "journal-article" @default.
- W2257752020 hasAuthorship W2257752020A5009128224 @default.
- W2257752020 hasAuthorship W2257752020A5017377137 @default.
- W2257752020 hasAuthorship W2257752020A5023539921 @default.
- W2257752020 hasAuthorship W2257752020A5032245741 @default.
- W2257752020 hasAuthorship W2257752020A5037386103 @default.
- W2257752020 hasAuthorship W2257752020A5053780153 @default.
- W2257752020 hasAuthorship W2257752020A5054657893 @default.
- W2257752020 hasAuthorship W2257752020A5060073997 @default.
- W2257752020 hasAuthorship W2257752020A5083320053 @default.
- W2257752020 hasConcept C102931765 @default.
- W2257752020 hasConcept C139066938 @default.
- W2257752020 hasConcept C147597530 @default.
- W2257752020 hasConcept C147789679 @default.
- W2257752020 hasConcept C161790260 @default.
- W2257752020 hasConcept C175689099 @default.
- W2257752020 hasConcept C178790620 @default.
- W2257752020 hasConcept C185592680 @default.
- W2257752020 hasConcept C44578547 @default.
- W2257752020 hasConcept C62396407 @default.
- W2257752020 hasConcept C75473681 @default.
- W2257752020 hasConceptScore W2257752020C102931765 @default.
- W2257752020 hasConceptScore W2257752020C139066938 @default.
- W2257752020 hasConceptScore W2257752020C147597530 @default.
- W2257752020 hasConceptScore W2257752020C147789679 @default.
- W2257752020 hasConceptScore W2257752020C161790260 @default.
- W2257752020 hasConceptScore W2257752020C175689099 @default.
- W2257752020 hasConceptScore W2257752020C178790620 @default.
- W2257752020 hasConceptScore W2257752020C185592680 @default.
- W2257752020 hasConceptScore W2257752020C44578547 @default.
- W2257752020 hasConceptScore W2257752020C62396407 @default.
- W2257752020 hasConceptScore W2257752020C75473681 @default.
- W2257752020 hasIssue "1" @default.
- W2257752020 hasLocation W22577520201 @default.
- W2257752020 hasOpenAccess W2257752020 @default.
- W2257752020 hasPrimaryLocation W22577520201 @default.
- W2257752020 hasRelatedWork W1676974357 @default.
- W2257752020 hasRelatedWork W1979545535 @default.
- W2257752020 hasRelatedWork W1988111630 @default.
- W2257752020 hasRelatedWork W2015780054 @default.
- W2257752020 hasRelatedWork W2017121942 @default.
- W2257752020 hasRelatedWork W2025932176 @default.
- W2257752020 hasRelatedWork W2052441644 @default.
- W2257752020 hasRelatedWork W2061999801 @default.
- W2257752020 hasRelatedWork W2065867601 @default.
- W2257752020 hasRelatedWork W2087736961 @default.
- W2257752020 hasRelatedWork W2088174406 @default.
- W2257752020 hasRelatedWork W2089738557 @default.
- W2257752020 hasRelatedWork W2095190421 @default.
- W2257752020 hasRelatedWork W2168243577 @default.
- W2257752020 hasRelatedWork W2314756558 @default.
- W2257752020 hasRelatedWork W2315156927 @default.
- W2257752020 hasRelatedWork W2350906639 @default.
- W2257752020 hasRelatedWork W2620578178 @default.
- W2257752020 hasRelatedWork W2951203926 @default.
- W2257752020 hasRelatedWork W2182637827 @default.
- W2257752020 isParatext "false" @default.
- W2257752020 isRetracted "false" @default.
- W2257752020 magId "2257752020" @default.
- W2257752020 workType "article" @default.