External Electric Field-Induced Molecular Structural Evolution and Electronic Response of BITE-101: A Multiscale Investigation from Molecules to Crystals
Sign Up to like & getrecommendations! Published in 2025 at "New Journal of Chemistry"
DOI: 10.1039/d5nj01996f
Abstract: The effects of EEF on the novel energetic material BITE-101 were investigated through computational analyses. Analyses were performed using Dmol3 and Gaussian 16 for both crystalline BITE-101 and isolated molecules. Key findings include: Single... read more here.
Keywords: induced molecular; bite 101; external electric; electric field ... See more keywords