Comment on the paper "Extensive theoretical studies of a new energetic material: tetrazino-tetrazine-tetraoxide (TTTO)" by Xinli Song, Jicun Li, Hua Hou, and Baoshan Wang.
Discrepancies are noted in the implementation and presentation of the ccCA methodology in a previous publication, "Extensive Theoretical Studies of a New Energetic Material: Tetrazino-tetrazine-tetraoxide (TTTO)" by Xinli Song, Jicun Li, Hua Hou, and Baoshan Wang. The enthalpy of formation for TTTO has been re-evaluated using the correct implementation of the ccCA methodology, demonstrating the results to be comparable to those of other ab initio composite methods.
Kameron R
KR
Jorgensen
Angela K
AK
Wilson