. 2012 Apr 5;116(16):4801–4811. doi: 10.1021/jp300307u

Table 1. Thermodynamics of Hydrolysis of Adenosine Triphosphate and Adenosine Triarsenate Obtained by Quantum Mechanical Calculation at the B3LYP/6-311++G** Level of Theory^a.

	reaction	ΔH(kcal/mol)	ΔG(kcal/mol)	experiment⁴⁶(kcal/mol)
1	ATP + H₂O → ADP + H₂PO₄^–	–3.32	–4.86	–7.3
2	ADP–As + H₂O → ADP + H₂AsO₄^–	–2.06	–3.01
3	ATAs + H₂O → ADAs + H₂AsO₄^–	–1.85	–2.23
4	ATP + H₂O → AMP + H₂P₂O₇^2-	–11.44	–11.52	–10.9
5	ATAs + H₂O → AMAs + H₂As₂O₇^2-	–9.7	–8.14

ATP: adenosine triphosphate. ADP: adenosine diphosphate. ADP–AS: adenosine diphosphate arsenate. ATAs: adenosine triarsenate. ADAs: adenosine diarsenate. AMP: adenosine monophosphate. AMAs, adenosine monoarsenate.

Table 1. Thermodynamics of Hydrolysis of Adenosine Triphosphate and Adenosine Triarsenate Obtained by Quantum Mechanical Calculation at the B3LYP/6-311++G** Level of Theorya.

Table 1. Thermodynamics of Hydrolysis of Adenosine Triphosphate and Adenosine Triarsenate Obtained by Quantum Mechanical Calculation at the B3LYP/6-311++G** Level of Theory^a.