Corrigendum: Exploration of High‐Energy‐Density Materials: Computational Insight into Energetic Derivatives Based on 1,2,4,5‐Tetrahydro‐1,2,4,5‐tetrazine

This paper contains errors that need to be corrected as follows:

In Section 2.4 on pp. 784, lines 7–8, there is a typographical error in which the wrong figure is referred to in the text. Specifically, the sentence “The distribution of the HOMO and LUMO combined with their energy gap are depicted in Figure 5” should read “The distribution of the HOMO and LUMO combined with their energy gap are depicted in Figure 6”.

In addition, the authors found that the captions of Figures 2–10 are incorrect in their original paper. The correct figures are listed below with the appropriate figure captions.

These corrections do not influence any of the data presented in the article nor its interpretation. The authors apologize for these mistakes.

Figure 1.

Variation trends of the heats of formation of the designed compounds.

Figure 2.

Variation trends of Q, ρ, D, and P of the designed compounds.

Figure 3.

Variation trends of the BO, BDE₀, BDE_ZPE, and H ₅₀ of the designed compounds.

Figure 4.

Intramolecular hydrogen bonds of compounds A4 and B4.

Figure 5.

HOMOs and LUMOs of compounds A4 and B4.

Figure 6.

Contour line maps of compounds A4 and B4.

Figure 7.

Electrostatic potentials of compounds A4 and B4.

Figure 8.

Relationships between the thermodynamic functions and temperature for compounds A4 and B4.

Figure 9.

Isodesmic reactions of the designed compounds.