Matches in SemOpenAlex for { <https://semopenalex.org/work/W2024882546> ?p ?o ?g. }
Showing items 1 to 98 of
98
with 100 items per page.
- W2024882546 endingPage "744" @default.
- W2024882546 startingPage "736" @default.
- W2024882546 abstract "Potential energy curves for the lowest two 2Σ states and the lowest 2Π state of NeHe+ were calculated using the valence bond method with minimal and extended basis sets. It is shown how this ab initio information, together with information on the He2, He+2, and NeHe molecules obtained from other sources, can be incorporated into a minimal basis diatomics-in-molecules (DIM) description of NeHe+2. Particular emphasis is given to the incorporation of the extended ab initio wave functions into the DIM procedure. Two sets of semiempirical DIM potential energy surfaces for NeHe+2 were computed using the minimal and extended valence bond diatomic wave functions and energies as input. These surfaces are compared and discussed with regard to other electronic structure calculations on NeHe+2. The lower potential surfaces for NeHe+2 are particularly relevant to the collision-induced dissociation of He+2 by Ne to form Ne+ ions." @default.
- W2024882546 created "2016-06-24" @default.
- W2024882546 creator A5009120271 @default.
- W2024882546 creator A5054690390 @default.
- W2024882546 date "1979-01-15" @default.
- W2024882546 modified "2023-09-25" @default.
- W2024882546 title "Practical application of extended valence bond diatomic calculations to the method of diatomics-in-molecules for NeHe+2" @default.
- W2024882546 cites W1559793393 @default.
- W2024882546 cites W1631551445 @default.
- W2024882546 cites W1680178539 @default.
- W2024882546 cites W1972908461 @default.
- W2024882546 cites W1981801358 @default.
- W2024882546 cites W1985728095 @default.
- W2024882546 cites W2006695655 @default.
- W2024882546 cites W2010713188 @default.
- W2024882546 cites W2028250558 @default.
- W2024882546 cites W2032475531 @default.
- W2024882546 cites W2040250138 @default.
- W2024882546 cites W2046913265 @default.
- W2024882546 cites W2064890992 @default.
- W2024882546 cites W2084652761 @default.
- W2024882546 cites W2095463339 @default.
- W2024882546 cites W2315250210 @default.
- W2024882546 cites W2322028914 @default.
- W2024882546 cites W2599779499 @default.
- W2024882546 cites W270465674 @default.
- W2024882546 cites W4230151690 @default.
- W2024882546 doi "https://doi.org/10.1063/1.437503" @default.
- W2024882546 hasPublicationYear "1979" @default.
- W2024882546 type Work @default.
- W2024882546 sameAs 2024882546 @default.
- W2024882546 citedByCount "24" @default.
- W2024882546 crossrefType "journal-article" @default.
- W2024882546 hasAuthorship W2024882546A5009120271 @default.
- W2024882546 hasAuthorship W2024882546A5054690390 @default.
- W2024882546 hasConcept C102931765 @default.
- W2024882546 hasConcept C111806078 @default.
- W2024882546 hasConcept C113603373 @default.
- W2024882546 hasConcept C121332964 @default.
- W2024882546 hasConcept C139358910 @default.
- W2024882546 hasConcept C145148216 @default.
- W2024882546 hasConcept C147597530 @default.
- W2024882546 hasConcept C147789679 @default.
- W2024882546 hasConcept C155860418 @default.
- W2024882546 hasConcept C156804444 @default.
- W2024882546 hasConcept C168900304 @default.
- W2024882546 hasConcept C178429038 @default.
- W2024882546 hasConcept C178790620 @default.
- W2024882546 hasConcept C183971685 @default.
- W2024882546 hasConcept C184779094 @default.
- W2024882546 hasConcept C185592680 @default.
- W2024882546 hasConcept C2781442258 @default.
- W2024882546 hasConcept C32909587 @default.
- W2024882546 hasConcept C41999313 @default.
- W2024882546 hasConcept C62396407 @default.
- W2024882546 hasConcept C84551667 @default.
- W2024882546 hasConceptScore W2024882546C102931765 @default.
- W2024882546 hasConceptScore W2024882546C111806078 @default.
- W2024882546 hasConceptScore W2024882546C113603373 @default.
- W2024882546 hasConceptScore W2024882546C121332964 @default.
- W2024882546 hasConceptScore W2024882546C139358910 @default.
- W2024882546 hasConceptScore W2024882546C145148216 @default.
- W2024882546 hasConceptScore W2024882546C147597530 @default.
- W2024882546 hasConceptScore W2024882546C147789679 @default.
- W2024882546 hasConceptScore W2024882546C155860418 @default.
- W2024882546 hasConceptScore W2024882546C156804444 @default.
- W2024882546 hasConceptScore W2024882546C168900304 @default.
- W2024882546 hasConceptScore W2024882546C178429038 @default.
- W2024882546 hasConceptScore W2024882546C178790620 @default.
- W2024882546 hasConceptScore W2024882546C183971685 @default.
- W2024882546 hasConceptScore W2024882546C184779094 @default.
- W2024882546 hasConceptScore W2024882546C185592680 @default.
- W2024882546 hasConceptScore W2024882546C2781442258 @default.
- W2024882546 hasConceptScore W2024882546C32909587 @default.
- W2024882546 hasConceptScore W2024882546C41999313 @default.
- W2024882546 hasConceptScore W2024882546C62396407 @default.
- W2024882546 hasConceptScore W2024882546C84551667 @default.
- W2024882546 hasIssue "2" @default.
- W2024882546 hasLocation W20248825461 @default.
- W2024882546 hasOpenAccess W2024882546 @default.
- W2024882546 hasPrimaryLocation W20248825461 @default.
- W2024882546 hasRelatedWork W2024882546 @default.
- W2024882546 hasRelatedWork W2025932176 @default.
- W2024882546 hasRelatedWork W2034342176 @default.
- W2024882546 hasRelatedWork W2074487368 @default.
- W2024882546 hasRelatedWork W2077028795 @default.
- W2024882546 hasRelatedWork W2077754275 @default.
- W2024882546 hasRelatedWork W2786442536 @default.
- W2024882546 hasRelatedWork W2790881789 @default.
- W2024882546 hasRelatedWork W2951415669 @default.
- W2024882546 hasRelatedWork W2952566711 @default.
- W2024882546 hasVolume "70" @default.
- W2024882546 isParatext "false" @default.
- W2024882546 isRetracted "false" @default.
- W2024882546 magId "2024882546" @default.
- W2024882546 workType "article" @default.