Table 1 Comparison of the lattice parameters and densities of ICM-102/HNO3 and ICM-102/H2O2.

From: Mechanism of the improvement of the energy of host–guest explosives by incorporation of small guest molecules: HNO3 and H2O2 promoted C–N bond cleavage of the ring of ICM-102

Crystal

Method

a/Å

b/Å

c/Å

ρ/g cm−3

ICM-102/HNO3

From CCDC

33.717

35.607

27.022

1.954

ReaxFF-lg

34.051

35.960

27.290

1.902

ICM-102/H2O2

From CCDC

28.256

29.392

29.660

1.913

ReaxFF-lg

28.267

29.404

29.672

1.911

Back to article page