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

Published in: Molecules (Basel, Switzerland) (2023)

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.

Keyphrases

high resolution
human milk
label free
molecular dynamics
preterm birth
low birth weight