Molecular dynamics and first-principles studies of structural change in 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) in crystalline state under high pressure: Comparison of hydrogen bond systems of TATB versus 1,3-diamino-2,4,6-trinitrobenzene (DATB)

Molecular dynamics and first-principles studies of structural change in 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) in crystalline state under high pressure: Comparison of hydrogen bond systems of TATB versus 1,3-diamino-2,4,6-trinitrobenzene (DATB)

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 472, 15 June 2016, Pages 163-172

Yuji Kohno, Kazuki Mori, Reiko I. Hiyoshi, Osamu Takahashi, Kazuyoshi Ueda,