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Energy barriers (in kcal/mol) with zero-point corrections calculated for decomposition of protonated/deprotonated N-(hydroxymethyl)nornicotine with/without water assisted.
| Gas phase | Solution | |
|---|---|---|
| Protonated N-(hydroxymethyl)nornicotine | ||
|
| ||
| without water | 44.3 | 44.7 |
| with water | 36.1 | 37.5 |
|
| ||
| Deprotonated N-(hydroxymethyl)nornicotine | ||
|
| ||
| without water | 39.7 | 29.2 |
| with water | 18.2 | 9.8 |
