Terahertz spectroscopy of 2,4,6-trinitrotoluene molecular solids from first principles

• Ido Azuri,
• Anna Hirsch,
• Anthony M. Reilly,
• Alexandre Tkatchenko,
• Shai Kendler,
• Oded Hod and
• Leeor Kronik

Beilstein J. Org. Chem. 2018, 14, 381–388, doi:10.3762/bjoc.14.26

• . Keywords: density functional theory; THz spectroscopy; Introduction The transparency of many non-conductive materials in the terahertz range (0.1 to 10 THz) of the electromagnetic spectrum has led to the development of several potential applications of terahertz radiation [1]. Terahertz spectroscopy of