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- W4230443709 abstract "The electronic and structural properties of indole and indole–(H2O)n=1, 2 are studied using the density functional formalism. Specific attention is paid to the relation between indole and its constituent fragments for properties such as proton affinity, hydrogenation, and tautomerization. The hydrogenation study is extended to include the hydroxy-indole isomers. The IR spectra and the stabilities of the indole–(H2O)1 complexes are determined. Indole–(H2O)2 geometries are calculated and classified into five groups, based on both geometry and IR considerations." @default.
- W4230443709 created "2022-05-11" @default.
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- W4230443709 date "1990-05-01" @default.
- W4230443709 modified "2023-09-25" @default.
- W4230443709 title "Tryptophan radicals" @default.
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- W4230443709 doi "https://doi.org/10.1016/0968-0004(90)90152-2" @default.
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