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Published in 2018 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2018.02.030
Abstract: Abstract Understanding the structural, geometrical, and chemical changes that occur after an electronic excitation is essential to elucidate the inherent mechanism of nitro explosives. Herein, relaxed structures of typical nitro explosives in the lowest singlet…
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Keywords:
typical nitro;
excited state;
relaxed structure;
nitro explosives ... See more keywords