Global Search for Stable C(4)H(5)NO Compounds-Guinness Molecules and Stability Islands

全球搜索稳定的C₄H₅NO化合物——吉尼斯分子和稳定性岛

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Abstract

Global reaction route mapping (GRRM) analysis for compounds with the formula C(4)H(5)NO allowed for the detection of the corresponding "Guinness molecules" 000 and 001, as well as around 150 other stable minima of the same composition. The results suggest that compounds of similar functionality form a kind of "Stability Island" with their free energies of formation falling within s relatively limited range.

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