Surface for methane combustion: O(3P) +CH4 → OH+CH3

Surface for methane combustion: O(³P) +CH₄ → OH+CH₃

Peng Ya^†, Jiang Zhong-An^‡, Chen Ju-Shi

The comparison of barrier heights from various reported references and our calculations. a: from Ref. [11]; b: from Ref. [61]; c: from Ref. [21]; d: from Ref. [22]; e: from Ref. [17]; f: from Ref. [25]; g: from Ref. [24]; h: from Ref. [36]; i: from Ref. [33]; j: present work at the CCSD(T) = FULL/ACVxZ (x = d, t, q, and 5) level; k: present work at the CCSD(T) = FULL/optACVxZ (x = d, t, and q) level; l: present work PES-2019; m: from Ref. [6].