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. Author manuscript; available in PMC: 2019 Apr 5.
Published in final edited form as: J Phys Chem B. 2018 Feb 13;122(13):3528–3539. doi: 10.1021/acs.jpcb.7b10734

Table 2.

Probability (p) of Observing Backbone CO in Different Groups Considered and Their Lifetime (τ) and Energetic Stability (E) in System glya

gCO gOH gCOH gfree
p 0.267 (0.134) 0.013 (0.168) 0.349 (0.194) 0.371 (0.504)
E (kcal/mol) −7.276 −5.938 −8.557 −7.063
τ (fs) 126 29 235
a

Numbers within parentheses are for O–C cutoff distance of 3.6 Å. For other systems, see Supporting Information.