Table 1. Relative Energies of Key Species in HNO/NO Conversion Pathways (unit: kcal/mol).

pathway	state	ΔE	ΔEZPE	ΔH	ΔG
I	I-1	0.00	0.00	0.00	0.00
	TS	12.55	10.11	9.49	12.12
	I-2	–10.03	–9.27	–9.19	–9.14
	P + NO	–2.92	–3.23	–1.68	–12.80
II	I-1	0.00	0.00	0.00	0.00
	TS′	19.98	17.05	16.55	18.88
	I-2′	–1.47	–1.68	–1.33	–2.07
	P′ + NO	5.50	4.23	4.60	–5.36