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Table 2 Intermolecular CH..O/N H-bonds and van der Waals contacts in the observable heteroassociates of the m1Cyt · m1Thy

From: Can Nucleobase Pairs Offer a Possibility of a Direct 3D Self-assembly?

Complex H-bond/vdW contact AH..B/A..B E (2), kcal/mol Cstr, Å/mDyn
1 C1H…O2 0.36 39.549
2 C1H…N3 1.00 22.928
3 C1H…O2 0.76 37.566
C1H…N3 0.03 33.407
8 C1H…N3 3.53 11.200
9 C6H…O2 3.27 16.085
C5H..N3 0.55 66.521
C1H…O2 1.00 27.809
10 C1H…O2 0.29 126.112
C1H…N3 0.74 43.476
C6H…O2 3.98 11.659
  1. E (2) value of stabilization energy, Cstr linear Grunenberg constant