. 2017 May 31;146(20):204307. doi: 10.1063/1.4983813

TABLE II.

Comparison of parameters with existing PES for the N₃ system.

	$r_{A} (Å)$	$r_{B} (Å)$	$𝜃$ (°)	$Δ$ E(kcal/mol) w.r.t. N₂ + N
Transition state
Present	1.18	1.48	119	47.12
Wang⁴⁷	1.184	1.491	117	47.2
Garcia⁴⁴	1.174	1.505	116	47.0
Galvāo⁵⁰	1.18	1.46	119	45.9
Well
Present	1.262	1.262	120	44.66
Wang⁴⁷	1.27	1.27	117	43.7
Garcia⁴⁴	1.268	1.268	119	44.5
Galvāo⁵⁰	1.25	1.25	119	42.6