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Matches in SemOpenAlex for { <https://semopenalex.org/work/W2018222356> ?p ?o ?g. }

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• W2018222356 startingPage "1412" @default.
• W2018222356 abstract "A priori quantum mechanical calculations have been carried out at about 150 linear geometries for the fluorine plus hydrogen molecule system. An extended basis set of Gaussian functions was used, and electron correlation was treated explicitly by configuration interaction. Comparison with the experimental activation energy and exothermicity suggests that the theoretical potential surface is quite realistic." @default.
• W2018222356 created "2016-06-24" @default.
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• W2018222356 date "1972-06-30" @default.
• W2018222356 modified "2023-10-16" @default.
• W2018222356 title "Potential Energy Surface Including Electron Correlation for F + H ₂ → FH + H: Refined Linear Surface" @default.
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• W2018222356 doi "https://doi.org/10.1126/science.176.4042.1412" @default.
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