Skip to main content
. 2014 Jul 29;118(32):18631–18639. doi: 10.1021/jp506200a

Table 2. Calculated Molecular Force Constants.

  ATP
hydrolyzed ATP
sample B
sample C
sample D
name of the bond 1/λ (cm–1) k (N/m) 1/λ (cm–1) k (N/m) 1/λ (cm–1) k (N/m) 1/λ (cm–1) k (N/m) 1/λ (cm–1) k (N/m)
NH2 bond in adenine ring 312.5 5.4 327.9 5.9 324.1 5.7 296.8 4.8 291.7 4.7
N7 atom in adenine ring 1493.6 849.3 1506.4 863.9 1484.4 839.5 1494.0 849.8 1498.0 854.3
phosphate bonds 1117.8 776.9 1125.9 788.2 1123.6 785.0 1144.9 815.1 1147.9 819.3