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Figure 9
Electrostatic and dispersion contributions (kJ mol−1) to the inter­action energies for hy­dro­gen-bonded mol­ecules in (a) FAP and (b) TAP, with Eele = −42 and Edis = −23 for I, Eele = −45 and Edis = −24 for II, Eele = −36 and Edis = −29 for III, and Eele = −36 and Edis = −29 for IV. Approximate uncertainties are ±1 kJ mol−1. The mol­ecule numbering is the same as in Fig. 8[link].

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296
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