Dynamics of the CH4 + O(3P) → CH3(ν = 0) + OH(ν′ = 0) reaction<xref rid="cpb_27_6_063401_fn1" ref-type="fn">*</xref> <fn id="cpb_27_6_063401_fn1"> <label>*</label> Project supported by the National Natural Science Foundation of China (Grant Nos. 51574016 and 51604018). </fn>

Dynamics of the CH₄ + O(³P) → CH₃(ν = 0) + OH(ν′ = 0) reaction* *

Project supported by the National Natural Science Foundation of China (Grant Nos. 51574016 and 51604018).

Jiang Zhong-An^†, Peng Ya^‡, Chen Ju-Shi, Lan Gui, Lin Hao-Yu

(color online) The comparison of reaction endoergicity with various ab initio methods. a: CCSD(T)/aug-cc-pCVQZ calculations from Ref. [40]; b: the valence-electron CCSD(T)/(FC)cc-pVTZ level and the all-electron CCSD(T)/(FULL)aug-cc-pVQZ level from Ref. [41]; c: present work at the CCSD(T)=FULL/optACVQZ level. The energy of the O(³P) + CH₄(X¹A₁) asymptote is taken to be zero.