Matches in SemOpenAlex for { <https://semopenalex.org/work/W2089618345> ?p ?o ?g. }
Showing items 1 to 84 of
84
with 100 items per page.
- W2089618345 endingPage "159" @default.
- W2089618345 startingPage "156" @default.
- W2089618345 abstract "We studied the attraction between Au and Tl in the [AuCl(PH3)2]Tl+ complex using ab initio methodology. This is a hypothetical compound. We found that the changes around the Au–Tl equilibrium distance and in the interaction energies are sensitive to the electron correlation potential. This effect was evaluated using HF, MP2, MP4 and CCSD(T) levels. The obtained interaction energy differences in the equilibrium distance (Au–Tl) ranged from 37 to 98 kJ/mol. At long distances, the behaviour of the [AuCl(PH3)2]–Tl+ interaction may be mainly related to charge-induced dipole and dispersion terms. The charge-induced dipole term was found to be principally contributing to the stability. The dispersion interaction was smaller, but not negligible." @default.
- W2089618345 created "2016-06-24" @default.
- W2089618345 creator A5011205698 @default.
- W2089618345 creator A5066938646 @default.
- W2089618345 date "2009-09-01" @default.
- W2089618345 modified "2023-10-11" @default.
- W2089618345 title "Theoretical study of the d10–s2 interaction between Au(I) and Tl(I) in the [AuCl(PH3)2]Tl+ hypothetical complex" @default.
- W2089618345 cites W1967340445 @default.
- W2089618345 cites W1982059363 @default.
- W2089618345 cites W1984126893 @default.
- W2089618345 cites W1985699741 @default.
- W2089618345 cites W2010485565 @default.
- W2089618345 cites W2011254772 @default.
- W2089618345 cites W2015131114 @default.
- W2089618345 cites W2015723183 @default.
- W2089618345 cites W2032554135 @default.
- W2089618345 cites W2033928246 @default.
- W2089618345 cites W2043327592 @default.
- W2089618345 cites W2050442557 @default.
- W2089618345 cites W2068745977 @default.
- W2089618345 cites W2071311418 @default.
- W2089618345 cites W2071631490 @default.
- W2089618345 cites W2103191961 @default.
- W2089618345 cites W2121056062 @default.
- W2089618345 cites W2137612150 @default.
- W2089618345 cites W2156847578 @default.
- W2089618345 cites W2315234697 @default.
- W2089618345 cites W4230151690 @default.
- W2089618345 doi "https://doi.org/10.1016/j.cplett.2009.07.099" @default.
- W2089618345 hasPublicationYear "2009" @default.
- W2089618345 type Work @default.
- W2089618345 sameAs 2089618345 @default.
- W2089618345 citedByCount "4" @default.
- W2089618345 countsByYear W20896183452015 @default.
- W2089618345 countsByYear W20896183452018 @default.
- W2089618345 countsByYear W20896183452022 @default.
- W2089618345 crossrefType "journal-article" @default.
- W2089618345 hasAuthorship W2089618345A5011205698 @default.
- W2089618345 hasAuthorship W2089618345A5066938646 @default.
- W2089618345 hasConcept C121332964 @default.
- W2089618345 hasConcept C173523689 @default.
- W2089618345 hasConcept C177562468 @default.
- W2089618345 hasConcept C178790620 @default.
- W2089618345 hasConcept C184779094 @default.
- W2089618345 hasConcept C185592680 @default.
- W2089618345 hasConcept C22499117 @default.
- W2089618345 hasConcept C2781442258 @default.
- W2089618345 hasConcept C32909587 @default.
- W2089618345 hasConcept C35052450 @default.
- W2089618345 hasConcept C41999313 @default.
- W2089618345 hasConcept C62520636 @default.
- W2089618345 hasConceptScore W2089618345C121332964 @default.
- W2089618345 hasConceptScore W2089618345C173523689 @default.
- W2089618345 hasConceptScore W2089618345C177562468 @default.
- W2089618345 hasConceptScore W2089618345C178790620 @default.
- W2089618345 hasConceptScore W2089618345C184779094 @default.
- W2089618345 hasConceptScore W2089618345C185592680 @default.
- W2089618345 hasConceptScore W2089618345C22499117 @default.
- W2089618345 hasConceptScore W2089618345C2781442258 @default.
- W2089618345 hasConceptScore W2089618345C32909587 @default.
- W2089618345 hasConceptScore W2089618345C35052450 @default.
- W2089618345 hasConceptScore W2089618345C41999313 @default.
- W2089618345 hasConceptScore W2089618345C62520636 @default.
- W2089618345 hasIssue "1-3" @default.
- W2089618345 hasLocation W20896183451 @default.
- W2089618345 hasOpenAccess W2089618345 @default.
- W2089618345 hasPrimaryLocation W20896183451 @default.
- W2089618345 hasRelatedWork W1966960306 @default.
- W2089618345 hasRelatedWork W1994321504 @default.
- W2089618345 hasRelatedWork W2007631373 @default.
- W2089618345 hasRelatedWork W2009846055 @default.
- W2089618345 hasRelatedWork W2045820443 @default.
- W2089618345 hasRelatedWork W2066704238 @default.
- W2089618345 hasRelatedWork W2133765007 @default.
- W2089618345 hasRelatedWork W2732335607 @default.
- W2089618345 hasRelatedWork W2951457267 @default.
- W2089618345 hasRelatedWork W4220677538 @default.
- W2089618345 hasVolume "479" @default.
- W2089618345 isParatext "false" @default.
- W2089618345 isRetracted "false" @default.
- W2089618345 magId "2089618345" @default.
- W2089618345 workType "article" @default.