Matches in SemOpenAlex for { <https://semopenalex.org/work/W2037112473> ?p ?o ?g. }
Showing items 1 to 80 of
80
with 100 items per page.
- W2037112473 endingPage "636" @default.
- W2037112473 startingPage "634" @default.
- W2037112473 abstract "A new transformation which predicts molecular orbitals at one molecular geometry from those at another is presented. Unlike other transformations, this one maintains invariance when the geometry change reduces to a pure rotation. The transformation is compared to two others for the internal rotation in ethane using the closed shell canonical Hartree–Fock molecular orbitals and the STO-3G basis. In additon to predicting orbitals that are independent of how the internal rotation is specified, the transformation gives remarkably accurate results." @default.
- W2037112473 created "2016-06-24" @default.
- W2037112473 creator A5048208961 @default.
- W2037112473 creator A5088316107 @default.
- W2037112473 date "1986-07-01" @default.
- W2037112473 modified "2023-10-17" @default.
- W2037112473 title "A rotationally invariant orbital transformation" @default.
- W2037112473 cites W1995560543 @default.
- W2037112473 cites W2006787354 @default.
- W2037112473 cites W2007254357 @default.
- W2037112473 cites W2041248934 @default.
- W2037112473 cites W2044682544 @default.
- W2037112473 cites W2061032090 @default.
- W2037112473 cites W2085414882 @default.
- W2037112473 cites W2125945374 @default.
- W2037112473 cites W4235180594 @default.
- W2037112473 doi "https://doi.org/10.1063/1.451591" @default.
- W2037112473 hasPublicationYear "1986" @default.
- W2037112473 type Work @default.
- W2037112473 sameAs 2037112473 @default.
- W2037112473 citedByCount "4" @default.
- W2037112473 crossrefType "journal-article" @default.
- W2037112473 hasAuthorship W2037112473A5048208961 @default.
- W2037112473 hasAuthorship W2037112473A5088316107 @default.
- W2037112473 hasBestOaLocation W20371124731 @default.
- W2037112473 hasConcept C104317684 @default.
- W2037112473 hasConcept C121332964 @default.
- W2037112473 hasConcept C139358910 @default.
- W2037112473 hasConcept C147120987 @default.
- W2037112473 hasConcept C185592680 @default.
- W2037112473 hasConcept C189394030 @default.
- W2037112473 hasConcept C190470478 @default.
- W2037112473 hasConcept C193772553 @default.
- W2037112473 hasConcept C204241405 @default.
- W2037112473 hasConcept C2524010 @default.
- W2037112473 hasConcept C32909587 @default.
- W2037112473 hasConcept C33923547 @default.
- W2037112473 hasConcept C55493867 @default.
- W2037112473 hasConcept C62520636 @default.
- W2037112473 hasConcept C65956243 @default.
- W2037112473 hasConcept C74050887 @default.
- W2037112473 hasConcept C74650414 @default.
- W2037112473 hasConceptScore W2037112473C104317684 @default.
- W2037112473 hasConceptScore W2037112473C121332964 @default.
- W2037112473 hasConceptScore W2037112473C139358910 @default.
- W2037112473 hasConceptScore W2037112473C147120987 @default.
- W2037112473 hasConceptScore W2037112473C185592680 @default.
- W2037112473 hasConceptScore W2037112473C189394030 @default.
- W2037112473 hasConceptScore W2037112473C190470478 @default.
- W2037112473 hasConceptScore W2037112473C193772553 @default.
- W2037112473 hasConceptScore W2037112473C204241405 @default.
- W2037112473 hasConceptScore W2037112473C2524010 @default.
- W2037112473 hasConceptScore W2037112473C32909587 @default.
- W2037112473 hasConceptScore W2037112473C33923547 @default.
- W2037112473 hasConceptScore W2037112473C55493867 @default.
- W2037112473 hasConceptScore W2037112473C62520636 @default.
- W2037112473 hasConceptScore W2037112473C65956243 @default.
- W2037112473 hasConceptScore W2037112473C74050887 @default.
- W2037112473 hasConceptScore W2037112473C74650414 @default.
- W2037112473 hasIssue "1" @default.
- W2037112473 hasLocation W20371124731 @default.
- W2037112473 hasOpenAccess W2037112473 @default.
- W2037112473 hasPrimaryLocation W20371124731 @default.
- W2037112473 hasRelatedWork W1965794344 @default.
- W2037112473 hasRelatedWork W2016405827 @default.
- W2037112473 hasRelatedWork W2018908669 @default.
- W2037112473 hasRelatedWork W2042260383 @default.
- W2037112473 hasRelatedWork W2081533302 @default.
- W2037112473 hasRelatedWork W2089128350 @default.
- W2037112473 hasRelatedWork W2135739713 @default.
- W2037112473 hasRelatedWork W2288959789 @default.
- W2037112473 hasRelatedWork W2316644485 @default.
- W2037112473 hasRelatedWork W2317450497 @default.
- W2037112473 hasVolume "85" @default.
- W2037112473 isParatext "false" @default.
- W2037112473 isRetracted "false" @default.
- W2037112473 magId "2037112473" @default.
- W2037112473 workType "article" @default.