Matches in SemOpenAlex for { <https://semopenalex.org/work/W2030656564> ?p ?o ?g. }
Showing items 1 to 76 of
76
with 100 items per page.
- W2030656564 endingPage "7848" @default.
- W2030656564 startingPage "7846" @default.
- W2030656564 abstract "The performance of six density functional methods is examined for a set of 32 small neutral molecular systems. The Kohn–Sham orbitals were obtained using the 6‐31G* basis set, without employing any auxiliary fitting procedures. Atomization energies were calculated by each density functional method, as well as by Hartree–Fock, MP2, and QCISD using the same basis. Comparisons with experimental results are summarized for each method. Two of the density functional methods give excellent agreement with experiment, while none of the other density functional or ab initio methods give acceptable results." @default.
- W2030656564 created "2016-06-24" @default.
- W2030656564 creator A5016091313 @default.
- W2030656564 creator A5038387078 @default.
- W2030656564 creator A5048687133 @default.
- W2030656564 date "1992-11-15" @default.
- W2030656564 modified "2023-10-14" @default.
- W2030656564 title "Preliminary results on the performance of a family of density functional methods" @default.
- W2030656564 cites W1970549136 @default.
- W2030656564 cites W1978857818 @default.
- W2030656564 cites W1984614201 @default.
- W2030656564 cites W1985583109 @default.
- W2030656564 cites W2004333877 @default.
- W2030656564 cites W2012982996 @default.
- W2030656564 cites W2020895640 @default.
- W2030656564 cites W2023271753 @default.
- W2030656564 cites W2026907619 @default.
- W2030656564 cites W2031856796 @default.
- W2030656564 cites W2038533471 @default.
- W2030656564 cites W2044940178 @default.
- W2030656564 cites W2068119917 @default.
- W2030656564 cites W2082719796 @default.
- W2030656564 cites W2086957099 @default.
- W2030656564 cites W2092930273 @default.
- W2030656564 cites W2170655711 @default.
- W2030656564 cites W2230728100 @default.
- W2030656564 cites W2951672535 @default.
- W2030656564 doi "https://doi.org/10.1063/1.463975" @default.
- W2030656564 hasPublicationYear "1992" @default.
- W2030656564 type Work @default.
- W2030656564 sameAs 2030656564 @default.
- W2030656564 citedByCount "114" @default.
- W2030656564 countsByYear W20306565642012 @default.
- W2030656564 countsByYear W20306565642013 @default.
- W2030656564 countsByYear W20306565642014 @default.
- W2030656564 countsByYear W20306565642015 @default.
- W2030656564 countsByYear W20306565642016 @default.
- W2030656564 countsByYear W20306565642017 @default.
- W2030656564 countsByYear W20306565642018 @default.
- W2030656564 countsByYear W20306565642020 @default.
- W2030656564 countsByYear W20306565642021 @default.
- W2030656564 countsByYear W20306565642022 @default.
- W2030656564 countsByYear W20306565642023 @default.
- W2030656564 crossrefType "journal-article" @default.
- W2030656564 hasAuthorship W2030656564A5016091313 @default.
- W2030656564 hasAuthorship W2030656564A5038387078 @default.
- W2030656564 hasAuthorship W2030656564A5048687133 @default.
- W2030656564 hasConcept C147597530 @default.
- W2030656564 hasConcept C152365726 @default.
- W2030656564 hasConcept C185592680 @default.
- W2030656564 hasConcept C192562407 @default.
- W2030656564 hasConceptScore W2030656564C147597530 @default.
- W2030656564 hasConceptScore W2030656564C152365726 @default.
- W2030656564 hasConceptScore W2030656564C185592680 @default.
- W2030656564 hasConceptScore W2030656564C192562407 @default.
- W2030656564 hasIssue "10" @default.
- W2030656564 hasLocation W20306565641 @default.
- W2030656564 hasOpenAccess W2030656564 @default.
- W2030656564 hasPrimaryLocation W20306565641 @default.
- W2030656564 hasRelatedWork W1969116739 @default.
- W2030656564 hasRelatedWork W2033589463 @default.
- W2030656564 hasRelatedWork W2057640882 @default.
- W2030656564 hasRelatedWork W2333189709 @default.
- W2030656564 hasRelatedWork W2899084033 @default.
- W2030656564 hasRelatedWork W2944657810 @default.
- W2030656564 hasRelatedWork W2951375394 @default.
- W2030656564 hasRelatedWork W2953261074 @default.
- W2030656564 hasRelatedWork W4250311452 @default.
- W2030656564 hasRelatedWork W2510219280 @default.
- W2030656564 hasVolume "97" @default.
- W2030656564 isParatext "false" @default.
- W2030656564 isRetracted "false" @default.
- W2030656564 magId "2030656564" @default.
- W2030656564 workType "article" @default.