Matches in SemOpenAlex for { <https://semopenalex.org/work/W1970836618> ?p ?o ?g. }
Showing items 1 to 74 of
74
with 100 items per page.
- W1970836618 endingPage "790" @default.
- W1970836618 startingPage "787" @default.
- W1970836618 abstract "Total energies of 2-, 3-, 4- and disubstituted pyridines were calculated for the salt and the free base using ab initio molecular orbital calculations at the STO-3G basis set level [2]. In each set, the difference in energy, ΔEH, between the salt and the free base was calculated and plotted against experimentally derived gas-phase proton affinities. The correlation was very good for each of the substituent categories listed. All of the energies and proton affinities were then plotted together on the same graph. The result was an excellent correlation with r = 0.97. The linear equation for gas phase proton affinity, PAB = 28.51 + 435.45ΔEH kcal/mole, was derived from this plot and was used to calculate proton affinities for all of the thirty-one compounds used in this study as well as for a series of dicyanopyridines for which values of proton affinity are not available at this time." @default.
- W1970836618 created "2016-06-24" @default.
- W1970836618 creator A5008299023 @default.
- W1970836618 creator A5089090890 @default.
- W1970836618 date "1992-07-01" @default.
- W1970836618 modified "2023-10-16" @default.
- W1970836618 title "Correlation of 2-, 3-, 4- and disubstituted pyridine gas-phase proton affinities with ab initio calculated energies at the sto-3g basis set level" @default.
- W1970836618 cites W1973151307 @default.
- W1970836618 cites W2031922815 @default.
- W1970836618 cites W2043452325 @default.
- W1970836618 cites W2950336393 @default.
- W1970836618 cites W2950554593 @default.
- W1970836618 cites W343066963 @default.
- W1970836618 doi "https://doi.org/10.1002/jhet.5570290418" @default.
- W1970836618 hasPublicationYear "1992" @default.
- W1970836618 type Work @default.
- W1970836618 sameAs 1970836618 @default.
- W1970836618 citedByCount "1" @default.
- W1970836618 crossrefType "journal-article" @default.
- W1970836618 hasAuthorship W1970836618A5008299023 @default.
- W1970836618 hasAuthorship W1970836618A5089090890 @default.
- W1970836618 hasConcept C121332964 @default.
- W1970836618 hasConcept C145148216 @default.
- W1970836618 hasConcept C147597530 @default.
- W1970836618 hasConcept C152365726 @default.
- W1970836618 hasConcept C178790620 @default.
- W1970836618 hasConcept C185592680 @default.
- W1970836618 hasConcept C2778689049 @default.
- W1970836618 hasConcept C2779485729 @default.
- W1970836618 hasConcept C2780283098 @default.
- W1970836618 hasConcept C2781442258 @default.
- W1970836618 hasConcept C30095370 @default.
- W1970836618 hasConcept C53323650 @default.
- W1970836618 hasConcept C54516573 @default.
- W1970836618 hasConcept C62520636 @default.
- W1970836618 hasConcept C65956243 @default.
- W1970836618 hasConcept C71240020 @default.
- W1970836618 hasConceptScore W1970836618C121332964 @default.
- W1970836618 hasConceptScore W1970836618C145148216 @default.
- W1970836618 hasConceptScore W1970836618C147597530 @default.
- W1970836618 hasConceptScore W1970836618C152365726 @default.
- W1970836618 hasConceptScore W1970836618C178790620 @default.
- W1970836618 hasConceptScore W1970836618C185592680 @default.
- W1970836618 hasConceptScore W1970836618C2778689049 @default.
- W1970836618 hasConceptScore W1970836618C2779485729 @default.
- W1970836618 hasConceptScore W1970836618C2780283098 @default.
- W1970836618 hasConceptScore W1970836618C2781442258 @default.
- W1970836618 hasConceptScore W1970836618C30095370 @default.
- W1970836618 hasConceptScore W1970836618C53323650 @default.
- W1970836618 hasConceptScore W1970836618C54516573 @default.
- W1970836618 hasConceptScore W1970836618C62520636 @default.
- W1970836618 hasConceptScore W1970836618C65956243 @default.
- W1970836618 hasConceptScore W1970836618C71240020 @default.
- W1970836618 hasIssue "4" @default.
- W1970836618 hasLocation W19708366181 @default.
- W1970836618 hasOpenAccess W1970836618 @default.
- W1970836618 hasPrimaryLocation W19708366181 @default.
- W1970836618 hasRelatedWork W1981652002 @default.
- W1970836618 hasRelatedWork W2011745320 @default.
- W1970836618 hasRelatedWork W2034756910 @default.
- W1970836618 hasRelatedWork W2064354474 @default.
- W1970836618 hasRelatedWork W2078587976 @default.
- W1970836618 hasRelatedWork W2088465158 @default.
- W1970836618 hasRelatedWork W2091200629 @default.
- W1970836618 hasRelatedWork W2113682220 @default.
- W1970836618 hasRelatedWork W2115019796 @default.
- W1970836618 hasRelatedWork W2135330829 @default.
- W1970836618 hasVolume "29" @default.
- W1970836618 isParatext "false" @default.
- W1970836618 isRetracted "false" @default.
- W1970836618 magId "1970836618" @default.
- W1970836618 workType "article" @default.