A thermodynamic integration dual-transform method was firstly applied to calculating the relative hydration free energies of 99mTcO-N2S2 complexes. The relation
Introduction2,6-Dinitro-4,8-bis(2,2,2-trinitroethyl)-2,4,6,8-tetraazabicyclo[3.3.1] nonane-3,7-dionel is a typical cyclourea nitramine. Its crystal density is 1