Matches in SemOpenAlex for { <https://semopenalex.org/work/W2057870131> ?p ?o ?g. }
- W2057870131 endingPage "14848" @default.
- W2057870131 startingPage "14843" @default.
- W2057870131 abstract "In order to give insights into the working mechanism of the novel characterized enzyme carbonyl sulphide hydrolase (COSase), which efficiently converts COS into H2S and CO2, we have performed a detailed theoretical investigation using the framework of density functional theory (using B3LYP and M06 exchange-correlation functionals) by the cluster model approach. In the final part of the reaction the metal ion is unable to form a pentacoordinated species. The B3LYP-D3 and M06 potential energy surfaces have a very similar shape. The elucidation of the catalytic reduction of COS is important in view of its role in environmental chemistry." @default.
- W2057870131 created "2016-06-24" @default.
- W2057870131 creator A5027556367 @default.
- W2057870131 creator A5030230442 @default.
- W2057870131 creator A5086760628 @default.
- W2057870131 date "2015-01-01" @default.
- W2057870131 modified "2023-09-26" @default.
- W2057870131 title "The working mechanism of the β-carbonic anhydrase degrading carbonyl sulphide (COSase): a theoretical study" @default.
- W2057870131 cites W1494524983 @default.
- W2057870131 cites W1964567061 @default.
- W2057870131 cites W1972547175 @default.
- W2057870131 cites W1974118152 @default.
- W2057870131 cites W1975493568 @default.
- W2057870131 cites W1975763169 @default.
- W2057870131 cites W1994565127 @default.
- W2057870131 cites W1999327012 @default.
- W2057870131 cites W2012284076 @default.
- W2057870131 cites W2014767176 @default.
- W2057870131 cites W2015723183 @default.
- W2057870131 cites W2016065841 @default.
- W2057870131 cites W2023271753 @default.
- W2057870131 cites W2030017897 @default.
- W2057870131 cites W2032681002 @default.
- W2057870131 cites W2033240071 @default.
- W2057870131 cites W2039559098 @default.
- W2057870131 cites W2040710216 @default.
- W2057870131 cites W2043288008 @default.
- W2057870131 cites W2043929927 @default.
- W2057870131 cites W2044800919 @default.
- W2057870131 cites W2049414168 @default.
- W2057870131 cites W2058848030 @default.
- W2057870131 cites W2058987797 @default.
- W2057870131 cites W2071713207 @default.
- W2057870131 cites W2087263216 @default.
- W2057870131 cites W2088555157 @default.
- W2057870131 cites W2089759714 @default.
- W2057870131 cites W2092157292 @default.
- W2057870131 cites W2094151718 @default.
- W2057870131 cites W2095220663 @default.
- W2057870131 cites W2096747776 @default.
- W2057870131 cites W2112032031 @default.
- W2057870131 cites W2140135142 @default.
- W2057870131 cites W2140733321 @default.
- W2057870131 cites W2143981217 @default.
- W2057870131 cites W2150697053 @default.
- W2057870131 cites W2321177463 @default.
- W2057870131 cites W2321394162 @default.
- W2057870131 cites W2323151247 @default.
- W2057870131 cites W2331363852 @default.
- W2057870131 doi "https://doi.org/10.1039/c4cp05975a" @default.
- W2057870131 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25980540" @default.
- W2057870131 hasPublicationYear "2015" @default.
- W2057870131 type Work @default.
- W2057870131 sameAs 2057870131 @default.
- W2057870131 citedByCount "13" @default.
- W2057870131 countsByYear W20578701312016 @default.
- W2057870131 countsByYear W20578701312017 @default.
- W2057870131 countsByYear W20578701312018 @default.
- W2057870131 countsByYear W20578701312019 @default.
- W2057870131 countsByYear W20578701312020 @default.
- W2057870131 countsByYear W20578701312021 @default.
- W2057870131 countsByYear W20578701312022 @default.
- W2057870131 crossrefType "journal-article" @default.
- W2057870131 hasAuthorship W2057870131A5027556367 @default.
- W2057870131 hasAuthorship W2057870131A5030230442 @default.
- W2057870131 hasAuthorship W2057870131A5086760628 @default.
- W2057870131 hasConcept C121332964 @default.
- W2057870131 hasConcept C147597530 @default.
- W2057870131 hasConcept C152365726 @default.
- W2057870131 hasConcept C161790260 @default.
- W2057870131 hasConcept C164866538 @default.
- W2057870131 hasConcept C178790620 @default.
- W2057870131 hasConcept C181199279 @default.
- W2057870131 hasConcept C185592680 @default.
- W2057870131 hasConcept C199360897 @default.
- W2057870131 hasConcept C2775914622 @default.
- W2057870131 hasConcept C41008148 @default.
- W2057870131 hasConcept C62520636 @default.
- W2057870131 hasConcept C65024703 @default.
- W2057870131 hasConcept C71240020 @default.
- W2057870131 hasConcept C89611455 @default.
- W2057870131 hasConceptScore W2057870131C121332964 @default.
- W2057870131 hasConceptScore W2057870131C147597530 @default.
- W2057870131 hasConceptScore W2057870131C152365726 @default.
- W2057870131 hasConceptScore W2057870131C161790260 @default.
- W2057870131 hasConceptScore W2057870131C164866538 @default.
- W2057870131 hasConceptScore W2057870131C178790620 @default.
- W2057870131 hasConceptScore W2057870131C181199279 @default.
- W2057870131 hasConceptScore W2057870131C185592680 @default.
- W2057870131 hasConceptScore W2057870131C199360897 @default.
- W2057870131 hasConceptScore W2057870131C2775914622 @default.
- W2057870131 hasConceptScore W2057870131C41008148 @default.
- W2057870131 hasConceptScore W2057870131C62520636 @default.
- W2057870131 hasConceptScore W2057870131C65024703 @default.
- W2057870131 hasConceptScore W2057870131C71240020 @default.
- W2057870131 hasConceptScore W2057870131C89611455 @default.
- W2057870131 hasIssue "22" @default.
- W2057870131 hasLocation W20578701311 @default.