Tetrazole Decomposition Temperature and Impact Sensitivity Prediction Using an Expanded Tetrazole Dataset: After demonstrating proof-of-principle for ab initio prediction of tetrazole Tdec and log(IS), we conducted a comprehensive literature survey using SciFinderⁿ for additional energetic tetrazoles disclosed by Klapötke and Shreeve that did not have reported crystal structure data. This allowed us to add an additional 24 structures to our library and produce an expanded dataset of 57 tetrazole HEMs (Figure ). We again used molecular mechanics to obtain a series of conformers for each compound and then applied our