Matches in SemOpenAlex for { <https://semopenalex.org/work/W2364123044> ?p ?o ?g. }
Showing items 1 to 81 of
81
with 100 items per page.
- W2364123044 abstract "A quantum chemical model was established for theoretical studies by employing the widely used density functional theory(DFT),the selected hybrid functional TPSSh in combination with TZVP basis set and an effective core potential(ECP)for uranium atom.As a test calculation,the structure of a complex UO2(CO3)4-3 was optimized with the above-mentioned TPSSh/TZVP(ECP)method,it was found that the calculated results(bond distances)are in good agreement with the experimental data.Then,we investigated the decomposition reaction of the anion UO2(CH3COO)-3 with this method.The results indicate that the uranyl(+5)radical specie is the most stable state in the gas phase.The two decomposition reactions of the species(CH3COO)UO2CH3-and CH3UO2OH-with water were also simulated with the above-mentioned method and the obtained results agree well with the mass spectroscopy data." @default.
- W2364123044 created "2016-06-24" @default.
- W2364123044 creator A5018073672 @default.
- W2364123044 date "2009-01-01" @default.
- W2364123044 modified "2023-09-25" @default.
- W2364123044 title "Density Functiond Theory Study on Decomposition Reaction of Organic Uranyl Acetate in Gas Phase" @default.
- W2364123044 hasPublicationYear "2009" @default.
- W2364123044 type Work @default.
- W2364123044 sameAs 2364123044 @default.
- W2364123044 citedByCount "0" @default.
- W2364123044 crossrefType "journal-article" @default.
- W2364123044 hasAuthorship W2364123044A5018073672 @default.
- W2364123044 hasConcept C124681953 @default.
- W2364123044 hasConcept C142724271 @default.
- W2364123044 hasConcept C145148216 @default.
- W2364123044 hasConcept C147597530 @default.
- W2364123044 hasConcept C147789679 @default.
- W2364123044 hasConcept C152365726 @default.
- W2364123044 hasConcept C162356407 @default.
- W2364123044 hasConcept C178790620 @default.
- W2364123044 hasConcept C185592680 @default.
- W2364123044 hasConcept C191897082 @default.
- W2364123044 hasConcept C192562407 @default.
- W2364123044 hasConcept C2778468930 @default.
- W2364123044 hasConcept C2779198548 @default.
- W2364123044 hasConcept C2779851234 @default.
- W2364123044 hasConcept C2781060271 @default.
- W2364123044 hasConcept C43617362 @default.
- W2364123044 hasConcept C44280652 @default.
- W2364123044 hasConcept C555451288 @default.
- W2364123044 hasConcept C65956243 @default.
- W2364123044 hasConcept C71924100 @default.
- W2364123044 hasConcept C74864618 @default.
- W2364123044 hasConceptScore W2364123044C124681953 @default.
- W2364123044 hasConceptScore W2364123044C142724271 @default.
- W2364123044 hasConceptScore W2364123044C145148216 @default.
- W2364123044 hasConceptScore W2364123044C147597530 @default.
- W2364123044 hasConceptScore W2364123044C147789679 @default.
- W2364123044 hasConceptScore W2364123044C152365726 @default.
- W2364123044 hasConceptScore W2364123044C162356407 @default.
- W2364123044 hasConceptScore W2364123044C178790620 @default.
- W2364123044 hasConceptScore W2364123044C185592680 @default.
- W2364123044 hasConceptScore W2364123044C191897082 @default.
- W2364123044 hasConceptScore W2364123044C192562407 @default.
- W2364123044 hasConceptScore W2364123044C2778468930 @default.
- W2364123044 hasConceptScore W2364123044C2779198548 @default.
- W2364123044 hasConceptScore W2364123044C2779851234 @default.
- W2364123044 hasConceptScore W2364123044C2781060271 @default.
- W2364123044 hasConceptScore W2364123044C43617362 @default.
- W2364123044 hasConceptScore W2364123044C44280652 @default.
- W2364123044 hasConceptScore W2364123044C555451288 @default.
- W2364123044 hasConceptScore W2364123044C65956243 @default.
- W2364123044 hasConceptScore W2364123044C71924100 @default.
- W2364123044 hasConceptScore W2364123044C74864618 @default.
- W2364123044 hasLocation W23641230441 @default.
- W2364123044 hasOpenAccess W2364123044 @default.
- W2364123044 hasPrimaryLocation W23641230441 @default.
- W2364123044 hasRelatedWork W1530630730 @default.
- W2364123044 hasRelatedWork W1971226486 @default.
- W2364123044 hasRelatedWork W1978083787 @default.
- W2364123044 hasRelatedWork W1986075066 @default.
- W2364123044 hasRelatedWork W1991902120 @default.
- W2364123044 hasRelatedWork W1992892430 @default.
- W2364123044 hasRelatedWork W1995735893 @default.
- W2364123044 hasRelatedWork W2039639109 @default.
- W2364123044 hasRelatedWork W2039893738 @default.
- W2364123044 hasRelatedWork W2054206040 @default.
- W2364123044 hasRelatedWork W2088177183 @default.
- W2364123044 hasRelatedWork W2090689517 @default.
- W2364123044 hasRelatedWork W2103872562 @default.
- W2364123044 hasRelatedWork W2166041500 @default.
- W2364123044 hasRelatedWork W2328522050 @default.
- W2364123044 hasRelatedWork W25017909 @default.
- W2364123044 hasRelatedWork W2623137904 @default.
- W2364123044 hasRelatedWork W2746700686 @default.
- W2364123044 hasRelatedWork W279479982 @default.
- W2364123044 hasRelatedWork W3152068768 @default.
- W2364123044 isParatext "false" @default.
- W2364123044 isRetracted "false" @default.
- W2364123044 magId "2364123044" @default.
- W2364123044 workType "article" @default.