For a chemist who is concerned with the synthesis of new energetic compounds, it is
essential to be able to assess physical and thermodynamic properties, as well as the …

High energy and moderate sensitivity are the two most important demands for modern
energetic materials. The powerful CL-20 and its previously obtained derivatives do not meet …

Thirty nitramines by incorporating single bondNHNH 2, single bondN 3, single bondNH 2,
single bondNHNO 2, single bondCdouble bondO, single bondNF 2, single bondONO 2 …

The condensed phase heat of formation of organic compounds as well as ionic liquids or
salts is an important thermodynamic parameter for the evaluation of their energy contents …

Main observation and conclusion Important progress has been made in the development of
energetic molecules with high performance by computer‐aided molecular design in recent …

We have carried out the design and theoretical investigation of a series of trinitromethane
derivatives of three-membered heterocyclic ring compounds–aziridine, 1H-azirine …

A series of new derivatives of cage 2, 4, 6, 8, 10, 12, 13, 14, 15-nanonitro-2, 4, 6, 8, 10, 12,
13, 14, 15-nanoazaheptacyclo [5.5. 1.13, 11, 15, 9] pentadecane (NNNAHP) were designed …

The search for coplanar high‐energy insensitive explosives is a new direction in the
research of energetic materials. A series of coplanar compounds based on the [1, 2, 4] …

A series of energetic polynitromethyl and polynitromethyl substituents were designed and
then incorporated into 2, 3-dihydro pyrazino [2, 3-e][1, 2, 3, 4] tetrazine molecule. The heat of …

A series of new cage compounds with high energy and low sensitivity by introducing–C (R2)–
,–N (R)–, and–O–were designed. Then their properties including electronic structures, heats …