Matches in SemOpenAlex for { <https://semopenalex.org/work/W2032223102> ?p ?o ?g. }
Showing items 1 to 84 of
84
with 100 items per page.
- W2032223102 endingPage "295" @default.
- W2032223102 startingPage "287" @default.
- W2032223102 abstract "Relativistic effective potentials (REP) are now widely used in molecular electronic structure calculations. Tests of these REP are needed to assess their accuracy. This can now be done for AgH and AuH since Lee and McLean have published Dirac-Fock calculations for these molecules. Comparative SCF calculations have been performed for two types of effective potential. Satisfactory agreement between the effective potential results and Dirac-Fock values is found for spectroscopic constants and dipole moments, which supports the use of these potentials for heavy atom containing molecules." @default.
- W2032223102 created "2016-06-24" @default.
- W2032223102 creator A5012594908 @default.
- W2032223102 creator A5035777325 @default.
- W2032223102 creator A5064174727 @default.
- W2032223102 date "1985-08-01" @default.
- W2032223102 modified "2023-10-17" @default.
- W2032223102 title "Relativistic effective potential SCF calculations of AgH and AuH" @default.
- W2032223102 cites W1966987215 @default.
- W2032223102 cites W1970148666 @default.
- W2032223102 cites W1990612939 @default.
- W2032223102 cites W1996102891 @default.
- W2032223102 cites W2018179526 @default.
- W2032223102 cites W2023549469 @default.
- W2032223102 cites W2049997847 @default.
- W2032223102 cites W2053396623 @default.
- W2032223102 cites W2059766390 @default.
- W2032223102 cites W2061558345 @default.
- W2032223102 cites W2067127621 @default.
- W2032223102 cites W2076602978 @default.
- W2032223102 cites W2078057866 @default.
- W2032223102 cites W2088254999 @default.
- W2032223102 cites W2090657580 @default.
- W2032223102 cites W2092913072 @default.
- W2032223102 cites W2113965470 @default.
- W2032223102 cites W2135869556 @default.
- W2032223102 cites W2252424823 @default.
- W2032223102 doi "https://doi.org/10.1002/jcc.540060405" @default.
- W2032223102 hasPublicationYear "1985" @default.
- W2032223102 type Work @default.
- W2032223102 sameAs 2032223102 @default.
- W2032223102 citedByCount "18" @default.
- W2032223102 countsByYear W20322231022020 @default.
- W2032223102 crossrefType "journal-article" @default.
- W2032223102 hasAuthorship W2032223102A5012594908 @default.
- W2032223102 hasAuthorship W2032223102A5035777325 @default.
- W2032223102 hasAuthorship W2032223102A5064174727 @default.
- W2032223102 hasConcept C121332964 @default.
- W2032223102 hasConcept C147597530 @default.
- W2032223102 hasConcept C149635348 @default.
- W2032223102 hasConcept C173523689 @default.
- W2032223102 hasConcept C184779094 @default.
- W2032223102 hasConcept C185592680 @default.
- W2032223102 hasConcept C186453547 @default.
- W2032223102 hasConcept C32909587 @default.
- W2032223102 hasConcept C41008148 @default.
- W2032223102 hasConcept C58312451 @default.
- W2032223102 hasConcept C61039578 @default.
- W2032223102 hasConcept C62520636 @default.
- W2032223102 hasConcept C82601208 @default.
- W2032223102 hasConceptScore W2032223102C121332964 @default.
- W2032223102 hasConceptScore W2032223102C147597530 @default.
- W2032223102 hasConceptScore W2032223102C149635348 @default.
- W2032223102 hasConceptScore W2032223102C173523689 @default.
- W2032223102 hasConceptScore W2032223102C184779094 @default.
- W2032223102 hasConceptScore W2032223102C185592680 @default.
- W2032223102 hasConceptScore W2032223102C186453547 @default.
- W2032223102 hasConceptScore W2032223102C32909587 @default.
- W2032223102 hasConceptScore W2032223102C41008148 @default.
- W2032223102 hasConceptScore W2032223102C58312451 @default.
- W2032223102 hasConceptScore W2032223102C61039578 @default.
- W2032223102 hasConceptScore W2032223102C62520636 @default.
- W2032223102 hasConceptScore W2032223102C82601208 @default.
- W2032223102 hasIssue "4" @default.
- W2032223102 hasLocation W20322231021 @default.
- W2032223102 hasOpenAccess W2032223102 @default.
- W2032223102 hasPrimaryLocation W20322231021 @default.
- W2032223102 hasRelatedWork W1564485841 @default.
- W2032223102 hasRelatedWork W1612231772 @default.
- W2032223102 hasRelatedWork W1820286741 @default.
- W2032223102 hasRelatedWork W1919901593 @default.
- W2032223102 hasRelatedWork W1981624995 @default.
- W2032223102 hasRelatedWork W2010286676 @default.
- W2032223102 hasRelatedWork W2093095410 @default.
- W2032223102 hasRelatedWork W2951283098 @default.
- W2032223102 hasRelatedWork W4286901883 @default.
- W2032223102 hasRelatedWork W4287219806 @default.
- W2032223102 hasVolume "6" @default.
- W2032223102 isParatext "false" @default.
- W2032223102 isRetracted "false" @default.
- W2032223102 magId "2032223102" @default.
- W2032223102 workType "article" @default.