FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2029183132> ?p ?o ?g. }

• W2029183132 endingPage "4631" @default.
• W2029183132 startingPage "4626" @default.
• W2029183132 abstract "Rigorous quantum mechanical calculations have been carried out for about 150 linear and 200 non-linear geometries for the FH2 system. The contracted Gaussian basis set used consisted of four s and two p functions on fluorine and two s functions on hydrogen. The barrier height and exothermicity are poorly predicted by single configuration self-consistent-field calculations. However, the 214-configuration correlated results are in qualitative agreement with experiment (low barrier height and substantial exothermicity). The reaction coordinate is discussed, and pictures of the potential surface are presented. A second series of calculations is being carried out with a larger basis set. These latter calculations yield nearly quantitative agreement with experiment for both the barrier height and exothermicity." @default.
• W2029183132 created "2016-06-24" @default.
• W2029183132 creator A5024312094 @default.
• W2029183132 creator A5033633287 @default.
• W2029183132 creator A5038060849 @default.
• W2029183132 creator A5062516621 @default.
• W2029183132 date "1972-05-01" @default.
• W2029183132 modified "2023-09-26" @default.
• W2029183132 title "Potential Energy Surface Including Electron Correlation for the Chemical F + H2 → FH + H I. Preliminary Surface" @default.
• W2029183132 cites W1509936889 @default.
• W2029183132 cites W1598352811 @default.
• W2029183132 cites W1971803339 @default.
• W2029183132 cites W1978026336 @default.
• W2029183132 cites W1982948515 @default.
• W2029183132 cites W1994496677 @default.
• W2029183132 cites W2012323159 @default.
• W2029183132 cites W2016178496 @default.
• W2029183132 cites W2022584634 @default.
• W2029183132 cites W2024060168 @default.
• W2029183132 cites W2029425897 @default.
• W2029183132 cites W2029637331 @default.
• W2029183132 cites W2031956790 @default.
• W2029183132 cites W2033485063 @default.
• W2029183132 cites W2042339799 @default.
• W2029183132 cites W2058132362 @default.
• W2029183132 cites W2060375341 @default.
• W2029183132 cites W2063364288 @default.
• W2029183132 cites W2073977681 @default.
• W2029183132 cites W2087032807 @default.
• W2029183132 cites W2091046938 @default.
• W2029183132 cites W2091297806 @default.
• W2029183132 cites W4230151690 @default.
• W2029183132 cites W4237453987 @default.
• W2029183132 cites W4376453995 @default.
• W2029183132 doi "https://doi.org/10.1063/1.1677911" @default.
• W2029183132 hasPublicationYear "1972" @default.
• W2029183132 type Work @default.
• W2029183132 sameAs 2029183132 @default.
• W2029183132 citedByCount "119" @default.
• W2029183132 countsByYear W20291831322015 @default.
• W2029183132 countsByYear W20291831322017 @default.
• W2029183132 countsByYear W20291831322019 @default.
• W2029183132 countsByYear W20291831322020 @default.
• W2029183132 countsByYear W20291831322022 @default.
• W2029183132 crossrefType "journal-article" @default.
• W2029183132 hasAuthorship W2029183132A5024312094 @default.
• W2029183132 hasAuthorship W2029183132A5033633287 @default.
• W2029183132 hasAuthorship W2029183132A5038060849 @default.
• W2029183132 hasAuthorship W2029183132A5062516621 @default.
• W2029183132 hasConcept C121332964 @default.
• W2029183132 hasConcept C12426560 @default.
• W2029183132 hasConcept C125277925 @default.
• W2029183132 hasConcept C134121241 @default.
• W2029183132 hasConcept C143724316 @default.
• W2029183132 hasConcept C147120987 @default.
• W2029183132 hasConcept C147597530 @default.
• W2029183132 hasConcept C151730666 @default.
• W2029183132 hasConcept C152365726 @default.
• W2029183132 hasConcept C163716315 @default.
• W2029183132 hasConcept C178790620 @default.
• W2029183132 hasConcept C184779094 @default.
• W2029183132 hasConcept C185592680 @default.
• W2029183132 hasConcept C2524010 @default.
• W2029183132 hasConcept C2776799497 @default.
• W2029183132 hasConcept C32909587 @default.
• W2029183132 hasConcept C33923547 @default.
• W2029183132 hasConcept C35052450 @default.
• W2029183132 hasConcept C41999313 @default.
• W2029183132 hasConcept C512968161 @default.
• W2029183132 hasConcept C62520636 @default.
• W2029183132 hasConcept C65956243 @default.
• W2029183132 hasConcept C84551667 @default.
• W2029183132 hasConcept C86803240 @default.
• W2029183132 hasConcept C97355855 @default.
• W2029183132 hasConceptScore W2029183132C121332964 @default.
• W2029183132 hasConceptScore W2029183132C12426560 @default.
• W2029183132 hasConceptScore W2029183132C125277925 @default.
• W2029183132 hasConceptScore W2029183132C134121241 @default.
• W2029183132 hasConceptScore W2029183132C143724316 @default.
• W2029183132 hasConceptScore W2029183132C147120987 @default.
• W2029183132 hasConceptScore W2029183132C147597530 @default.
• W2029183132 hasConceptScore W2029183132C151730666 @default.
• W2029183132 hasConceptScore W2029183132C152365726 @default.
• W2029183132 hasConceptScore W2029183132C163716315 @default.
• W2029183132 hasConceptScore W2029183132C178790620 @default.
• W2029183132 hasConceptScore W2029183132C184779094 @default.
• W2029183132 hasConceptScore W2029183132C185592680 @default.
• W2029183132 hasConceptScore W2029183132C2524010 @default.
• W2029183132 hasConceptScore W2029183132C2776799497 @default.
• W2029183132 hasConceptScore W2029183132C32909587 @default.
• W2029183132 hasConceptScore W2029183132C33923547 @default.
• W2029183132 hasConceptScore W2029183132C35052450 @default.
• W2029183132 hasConceptScore W2029183132C41999313 @default.
• W2029183132 hasConceptScore W2029183132C512968161 @default.
• W2029183132 hasConceptScore W2029183132C62520636 @default.
• W2029183132 hasConceptScore W2029183132C65956243 @default.
• W2029183132 hasConceptScore W2029183132C84551667 @default.
• W2029183132 hasConceptScore W2029183132C86803240 @default.

• next