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- W2111951633 abstract "The proton affinity (PA) of the [Tca-H β Μim] - ion (Tca - : trichloroacetate ion, HMim: 4-Methyl-1H-imidazole) is a nearly linear function of the position (r 3 ) of H β using the rigid framework approximation. This useful property of the ion is caused by an unusually large four-center interaction term revealed by the multi-center energy (MCE) analysis of PA(r 3 ). The MCE analysis shows further that despite the general stabilization of the [Tca-HMim-HAc] - ion by cooperative effects, the individual hydrogen bonds carry a strong anti-cooperative element caused by the rivalry of the two bases for the proton linking them." @default.
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- W2111951633 date "2009-02-01" @default.
- W2111951633 modified "2023-09-26" @default.
- W2111951633 title "A Multi-Center Energy Analysis of the Tunable Proton Affinity of Hydrogen Bonded Cluster Ions" @default.
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- W2111951633 doi "https://doi.org/10.1002/jccs.200900012" @default.
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