Matches in SemOpenAlex for { <https://semopenalex.org/work/W2015295526> ?p ?o ?g. }
Showing items 1 to 98 of
98
with 100 items per page.
- W2015295526 endingPage "834" @default.
- W2015295526 startingPage "807" @default.
- W2015295526 abstract "A semi-empirical delta-function model of chemical binding is presented from which a large number of bond properties may be calculated for diatomic molecules and the bonds of polyatomic molecules. The predicted properties are dissociation energy, bond length, vibrational frequency and anharmonicity. For diatomic molecules the only information used in the calculations other than the assumptions of the model are the electronegativity values for the elements, which must be used to evaluate delta-function strengths from an empirical rule. The simplicity of the method results from the fact that the calculated energy of the molecular system is the sum of one-electron or one-electron-pair energies. All electrons in a valence shell of an atom make contributions to the binding energy. The building-up principle is the same as that of the simple MO method. The equilibrium bond lengths are calculated from the condition which minimizes the binding energy with respect to the delta-function-strength parameter. Calculations have been made for the properties of 120 bonds of diatomic molecules and seventy bonds of polyatomic molecules. For homonuclear diatomic molecules with well-established experimental properties the calculated bond lengths have an average error near 3 per cent and the calculated dissociation energies an average error near 4 per cent. For heteronuclear bonds the results are somewhat poorer with hydrides giving the poorest results. For homonuclear bonds of polyatomic molecules the results are nearly as good as for diatomic molecules." @default.
- W2015295526 created "2016-06-24" @default.
- W2015295526 creator A5053765003 @default.
- W2015295526 creator A5079776838 @default.
- W2015295526 date "1960-01-01" @default.
- W2015295526 modified "2023-10-17" @default.
- W2015295526 title "Delta-function model of chemical binding" @default.
- W2015295526 cites W1492285489 @default.
- W2015295526 cites W1970512682 @default.
- W2015295526 cites W1978018414 @default.
- W2015295526 cites W1978913143 @default.
- W2015295526 cites W1988311247 @default.
- W2015295526 cites W1991869671 @default.
- W2015295526 cites W2001794004 @default.
- W2015295526 cites W2009963039 @default.
- W2015295526 cites W2010785223 @default.
- W2015295526 cites W2043098075 @default.
- W2015295526 cites W2044010601 @default.
- W2015295526 cites W2046361031 @default.
- W2015295526 cites W2047793987 @default.
- W2015295526 cites W2056319838 @default.
- W2015295526 cites W2075203754 @default.
- W2015295526 cites W2092870314 @default.
- W2015295526 cites W2094503416 @default.
- W2015295526 cites W2166014078 @default.
- W2015295526 cites W2316335231 @default.
- W2015295526 cites W4249899150 @default.
- W2015295526 doi "https://doi.org/10.1016/0371-1951(60)80028-8" @default.
- W2015295526 hasPublicationYear "1960" @default.
- W2015295526 type Work @default.
- W2015295526 sameAs 2015295526 @default.
- W2015295526 citedByCount "55" @default.
- W2015295526 countsByYear W20152955262012 @default.
- W2015295526 countsByYear W20152955262014 @default.
- W2015295526 crossrefType "journal-article" @default.
- W2015295526 hasAuthorship W2015295526A5053765003 @default.
- W2015295526 hasAuthorship W2015295526A5079776838 @default.
- W2015295526 hasConcept C102931765 @default.
- W2015295526 hasConcept C111806078 @default.
- W2015295526 hasConcept C121332964 @default.
- W2015295526 hasConcept C122032599 @default.
- W2015295526 hasConcept C147120987 @default.
- W2015295526 hasConcept C147597530 @default.
- W2015295526 hasConcept C147789679 @default.
- W2015295526 hasConcept C155860418 @default.
- W2015295526 hasConcept C178213299 @default.
- W2015295526 hasConcept C178790620 @default.
- W2015295526 hasConcept C184779094 @default.
- W2015295526 hasConcept C185592680 @default.
- W2015295526 hasConcept C32909587 @default.
- W2015295526 hasConcept C38649801 @default.
- W2015295526 hasConcept C40447573 @default.
- W2015295526 hasConcept C62396407 @default.
- W2015295526 hasConcept C62520636 @default.
- W2015295526 hasConcept C66594872 @default.
- W2015295526 hasConcept C92381491 @default.
- W2015295526 hasConcept C93282013 @default.
- W2015295526 hasConceptScore W2015295526C102931765 @default.
- W2015295526 hasConceptScore W2015295526C111806078 @default.
- W2015295526 hasConceptScore W2015295526C121332964 @default.
- W2015295526 hasConceptScore W2015295526C122032599 @default.
- W2015295526 hasConceptScore W2015295526C147120987 @default.
- W2015295526 hasConceptScore W2015295526C147597530 @default.
- W2015295526 hasConceptScore W2015295526C147789679 @default.
- W2015295526 hasConceptScore W2015295526C155860418 @default.
- W2015295526 hasConceptScore W2015295526C178213299 @default.
- W2015295526 hasConceptScore W2015295526C178790620 @default.
- W2015295526 hasConceptScore W2015295526C184779094 @default.
- W2015295526 hasConceptScore W2015295526C185592680 @default.
- W2015295526 hasConceptScore W2015295526C32909587 @default.
- W2015295526 hasConceptScore W2015295526C38649801 @default.
- W2015295526 hasConceptScore W2015295526C40447573 @default.
- W2015295526 hasConceptScore W2015295526C62396407 @default.
- W2015295526 hasConceptScore W2015295526C62520636 @default.
- W2015295526 hasConceptScore W2015295526C66594872 @default.
- W2015295526 hasConceptScore W2015295526C92381491 @default.
- W2015295526 hasConceptScore W2015295526C93282013 @default.
- W2015295526 hasIssue "7" @default.
- W2015295526 hasLocation W20152955261 @default.
- W2015295526 hasOpenAccess W2015295526 @default.
- W2015295526 hasPrimaryLocation W20152955261 @default.
- W2015295526 hasRelatedWork W1984895708 @default.
- W2015295526 hasRelatedWork W2010832591 @default.
- W2015295526 hasRelatedWork W2011441632 @default.
- W2015295526 hasRelatedWork W2015295526 @default.
- W2015295526 hasRelatedWork W2024066013 @default.
- W2015295526 hasRelatedWork W2033013446 @default.
- W2015295526 hasRelatedWork W2118238424 @default.
- W2015295526 hasRelatedWork W2383886155 @default.
- W2015295526 hasRelatedWork W2785996167 @default.
- W2015295526 hasRelatedWork W4243788079 @default.
- W2015295526 hasVolume "16" @default.
- W2015295526 isParatext "false" @default.
- W2015295526 isRetracted "false" @default.
- W2015295526 magId "2015295526" @default.
- W2015295526 workType "article" @default.