Matches in SemOpenAlex for { <https://semopenalex.org/work/W2048671159> ?p ?o ?g. }
Showing items 1 to 91 of
91
with 100 items per page.
- W2048671159 endingPage "222" @default.
- W2048671159 startingPage "215" @default.
- W2048671159 abstract "Optimized structures for the [Se5Au2]2− and [Se6Au2]2− polyselenide complexes have been determined in Hartree-Fock and second-order Møller-Plesset perturbation theory calculations. These calculations have been carried out using effective core potentials for the inner-shell electrons and flexible basis sets in the valence region. The calculated global minimum energy structures agree with experimental structures. The polyselenide complexes display an Au(I)Au(I) bond, a feature which has been noted previously in other compounds and dubbed “aurophilic attraction”. Our results indicate that the attraction is a correlation effect, not described at the Hartree-Fock level." @default.
- W2048671159 created "2016-06-24" @default.
- W2048671159 creator A5001741588 @default.
- W2048671159 creator A5060467145 @default.
- W2048671159 creator A5068336755 @default.
- W2048671159 date "1997-10-01" @default.
- W2048671159 modified "2023-10-17" @default.
- W2048671159 title "The Au(I)Au(I) interaction: Hartree-Fock and Møller-Plesset second-order perturbation theory calculations on [Se5Au2]2− and [Se6Au2]2− complexes" @default.
- W2048671159 cites W1183003891 @default.
- W2048671159 cites W1489617773 @default.
- W2048671159 cites W1567724934 @default.
- W2048671159 cites W1967405520 @default.
- W2048671159 cites W1968340964 @default.
- W2048671159 cites W1969597623 @default.
- W2048671159 cites W1988485116 @default.
- W2048671159 cites W1998284446 @default.
- W2048671159 cites W2013132704 @default.
- W2048671159 cites W2018750529 @default.
- W2048671159 cites W2026654710 @default.
- W2048671159 cites W2028022118 @default.
- W2048671159 cites W2034373528 @default.
- W2048671159 cites W2045009373 @default.
- W2048671159 cites W2050540841 @default.
- W2048671159 cites W2051484666 @default.
- W2048671159 cites W2058918539 @default.
- W2048671159 cites W2074879848 @default.
- W2048671159 cites W2078052908 @default.
- W2048671159 cites W2091564845 @default.
- W2048671159 cites W2091896053 @default.
- W2048671159 cites W2105780449 @default.
- W2048671159 cites W2139064204 @default.
- W2048671159 cites W2163337425 @default.
- W2048671159 cites W2232233927 @default.
- W2048671159 cites W2312643855 @default.
- W2048671159 cites W2749619729 @default.
- W2048671159 cites W2952692222 @default.
- W2048671159 cites W4210964583 @default.
- W2048671159 doi "https://doi.org/10.1016/s0009-2614(97)00914-7" @default.
- W2048671159 hasPublicationYear "1997" @default.
- W2048671159 type Work @default.
- W2048671159 sameAs 2048671159 @default.
- W2048671159 citedByCount "6" @default.
- W2048671159 crossrefType "journal-article" @default.
- W2048671159 hasAuthorship W2048671159A5001741588 @default.
- W2048671159 hasAuthorship W2048671159A5060467145 @default.
- W2048671159 hasAuthorship W2048671159A5068336755 @default.
- W2048671159 hasConcept C113630233 @default.
- W2048671159 hasConcept C121332964 @default.
- W2048671159 hasConcept C147120987 @default.
- W2048671159 hasConcept C147597530 @default.
- W2048671159 hasConcept C168900304 @default.
- W2048671159 hasConcept C174256460 @default.
- W2048671159 hasConcept C184779094 @default.
- W2048671159 hasConcept C185592680 @default.
- W2048671159 hasConcept C3253136 @default.
- W2048671159 hasConcept C35052450 @default.
- W2048671159 hasConcept C38649801 @default.
- W2048671159 hasConcept C62520636 @default.
- W2048671159 hasConceptScore W2048671159C113630233 @default.
- W2048671159 hasConceptScore W2048671159C121332964 @default.
- W2048671159 hasConceptScore W2048671159C147120987 @default.
- W2048671159 hasConceptScore W2048671159C147597530 @default.
- W2048671159 hasConceptScore W2048671159C168900304 @default.
- W2048671159 hasConceptScore W2048671159C174256460 @default.
- W2048671159 hasConceptScore W2048671159C184779094 @default.
- W2048671159 hasConceptScore W2048671159C185592680 @default.
- W2048671159 hasConceptScore W2048671159C3253136 @default.
- W2048671159 hasConceptScore W2048671159C35052450 @default.
- W2048671159 hasConceptScore W2048671159C38649801 @default.
- W2048671159 hasConceptScore W2048671159C62520636 @default.
- W2048671159 hasIssue "1-3" @default.
- W2048671159 hasLocation W20486711591 @default.
- W2048671159 hasOpenAccess W2048671159 @default.
- W2048671159 hasPrimaryLocation W20486711591 @default.
- W2048671159 hasRelatedWork W1203002158 @default.
- W2048671159 hasRelatedWork W1997978264 @default.
- W2048671159 hasRelatedWork W2002502154 @default.
- W2048671159 hasRelatedWork W2029570487 @default.
- W2048671159 hasRelatedWork W2034031519 @default.
- W2048671159 hasRelatedWork W2080618037 @default.
- W2048671159 hasRelatedWork W2121082168 @default.
- W2048671159 hasRelatedWork W2155531087 @default.
- W2048671159 hasRelatedWork W3104357743 @default.
- W2048671159 hasRelatedWork W73902440 @default.
- W2048671159 hasVolume "277" @default.
- W2048671159 isParatext "false" @default.
- W2048671159 isRetracted "false" @default.
- W2048671159 magId "2048671159" @default.
- W2048671159 workType "article" @default.