Matches in SemOpenAlex for { <https://semopenalex.org/work/W2036701854> ?p ?o ?g. }
- W2036701854 endingPage "181" @default.
- W2036701854 startingPage "167" @default.
- W2036701854 abstract "Limited configuration interaction Pariser-Parr-Pople calculations were performed for 19 nitrogen heterocyclic aromatic molecules. After optimizing the semiempirical parameters for six “test” molecules, calculations were performed for the remaining thirteen molecules. Strong correlations were made with experimentally observed ionization potentials, singlet-singlet transition energies, polarizations and oscillator strengths as well as ground state molecular geometries for cases where these observations have been made. These correlations indicate spectral features which should be carefully examined experimentally to determine the effect of nitrogen substitution in aromatic hydrocarbon molecules." @default.
- W2036701854 created "2016-06-24" @default.
- W2036701854 creator A5018493991 @default.
- W2036701854 creator A5023266063 @default.
- W2036701854 creator A5081526292 @default.
- W2036701854 date "1975-02-01" @default.
- W2036701854 modified "2023-09-23" @default.
- W2036701854 title "LCI Pariser-Parr-Pople calculations of π-electron systems in nitrogen-heterocyclic molecules. Correlation with spectral data" @default.
- W2036701854 cites W1521829075 @default.
- W2036701854 cites W1561759900 @default.
- W2036701854 cites W1564995487 @default.
- W2036701854 cites W1844541118 @default.
- W2036701854 cites W1964102337 @default.
- W2036701854 cites W1964860029 @default.
- W2036701854 cites W1965026731 @default.
- W2036701854 cites W1982099180 @default.
- W2036701854 cites W1983544275 @default.
- W2036701854 cites W1988200366 @default.
- W2036701854 cites W1989026302 @default.
- W2036701854 cites W1995214244 @default.
- W2036701854 cites W1996055767 @default.
- W2036701854 cites W2002538784 @default.
- W2036701854 cites W2009271105 @default.
- W2036701854 cites W2010391591 @default.
- W2036701854 cites W2014003741 @default.
- W2036701854 cites W2015213257 @default.
- W2036701854 cites W2015508756 @default.
- W2036701854 cites W2019446479 @default.
- W2036701854 cites W2027896713 @default.
- W2036701854 cites W2028872877 @default.
- W2036701854 cites W2040310595 @default.
- W2036701854 cites W2043527527 @default.
- W2036701854 cites W2044345183 @default.
- W2036701854 cites W2046380626 @default.
- W2036701854 cites W2047220099 @default.
- W2036701854 cites W2049029909 @default.
- W2036701854 cites W2051907406 @default.
- W2036701854 cites W2052411165 @default.
- W2036701854 cites W2052788985 @default.
- W2036701854 cites W2061904036 @default.
- W2036701854 cites W2064869812 @default.
- W2036701854 cites W2065118021 @default.
- W2036701854 cites W2070307559 @default.
- W2036701854 cites W2071996740 @default.
- W2036701854 cites W2076069200 @default.
- W2036701854 cites W2079334514 @default.
- W2036701854 cites W2082503182 @default.
- W2036701854 cites W2083856522 @default.
- W2036701854 cites W2086742926 @default.
- W2036701854 cites W2091562044 @default.
- W2036701854 cites W2091895769 @default.
- W2036701854 cites W2115030340 @default.
- W2036701854 cites W2117285742 @default.
- W2036701854 cites W2138684663 @default.
- W2036701854 cites W2158593312 @default.
- W2036701854 cites W2158623593 @default.
- W2036701854 cites W2313758798 @default.
- W2036701854 cites W2318477700 @default.
- W2036701854 cites W2322583319 @default.
- W2036701854 cites W2324441538 @default.
- W2036701854 cites W2332983072 @default.
- W2036701854 cites W2610520100 @default.
- W2036701854 cites W2622959457 @default.
- W2036701854 cites W4205446996 @default.
- W2036701854 cites W4239492004 @default.
- W2036701854 cites W4242892478 @default.
- W2036701854 cites W4246077576 @default.
- W2036701854 cites W4251730039 @default.
- W2036701854 cites W4254715971 @default.
- W2036701854 doi "https://doi.org/10.1016/0022-2852(75)90071-5" @default.
- W2036701854 hasPublicationYear "1975" @default.
- W2036701854 type Work @default.
- W2036701854 sameAs 2036701854 @default.
- W2036701854 citedByCount "16" @default.
- W2036701854 countsByYear W20367018542018 @default.
- W2036701854 countsByYear W20367018542019 @default.
- W2036701854 crossrefType "journal-article" @default.
- W2036701854 hasAuthorship W2036701854A5018493991 @default.
- W2036701854 hasAuthorship W2036701854A5023266063 @default.
- W2036701854 hasAuthorship W2036701854A5081526292 @default.
- W2036701854 hasConcept C121332964 @default.
- W2036701854 hasConcept C1276947 @default.
- W2036701854 hasConcept C145148216 @default.
- W2036701854 hasConcept C147120987 @default.
- W2036701854 hasConcept C147192597 @default.
- W2036701854 hasConcept C147597530 @default.
- W2036701854 hasConcept C178790620 @default.
- W2036701854 hasConcept C181500209 @default.
- W2036701854 hasConcept C184779094 @default.
- W2036701854 hasConcept C185592680 @default.
- W2036701854 hasConcept C192562407 @default.
- W2036701854 hasConcept C198291218 @default.
- W2036701854 hasConcept C205759337 @default.
- W2036701854 hasConcept C2777529809 @default.
- W2036701854 hasConcept C32909587 @default.
- W2036701854 hasConcept C33062035 @default.
- W2036701854 hasConcept C35052450 @default.
- W2036701854 hasConcept C41999313 @default.