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• W2054176454 endingPage "2267" @default.
• W2054176454 startingPage "2265" @default.
• W2054176454 abstract "The conventional interpretation of proton NMR chemical shifts is supported by large basis set ab initio quantum mechanical calculations. The benzene protons are predicted to lie within the deshielding zone defined in terms of the out-of-plane magnetic shielding domain. However, ring currents by themselves are not sufficient to account quantitatively for the observed benzene proton downfield chemical shift. σ-Electron contributions must also be taken into account. The conventional explanation for the ethyne proton chemical shift is valid." @default.
• W2054176454 created "2016-06-24" @default.
• W2054176454 creator A5002866904 @default.
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• W2054176454 creator A5084096028 @default.
• W2054176454 date "2004-06-01" @default.
• W2054176454 modified "2023-10-16" @default.
• W2054176454 title "Are Ring Currents Still Useful to Rationalize the Benzene Proton Magnetic Shielding?" @default.
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• W2054176454 doi "https://doi.org/10.1021/ol049200w" @default.
• W2054176454 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/15200336" @default.
• W2054176454 hasPublicationYear "2004" @default.
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