Computational design and structure–property relationship studies on heptazines

A DFT study on nitrotriazines

(2009) Lemi Türker et al.   JOURNAL OF HAZARDOUS MATERIALS

A possible crystal volume factor in the impact sensitivities of some energetic compounds

(2009) Miroslav Pospíšil et al.   JOURNAL OF MOLECULAR MODELING

A density functional study of NBO, NICS and 14N NQR parameters of 5-methylcytosine tautomers in the gas phase

(2009) Ehsan Zahedi et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Computational study of substituted 2,2′-bi-1H-imidazole as high energetic materials

(2009) Yu-Fang Li et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Molecular Design of 1,2,4,5-Tetrazine-Based High-Energy Density Materials

(2009) Tao Wei et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Links between surface electrostatic potentials of energetic molecules, impact sensitivities and C–NO2/N–NO2bond dissociation energies

(2009) Jane S. Murray et al.   MOLECULAR PHYSICS

An electrostatic interaction correction for improved crystal density prediction

(2009) Peter Politzer et al.   MOLECULAR PHYSICS

Quantum chemical study on nitroimidazole, polynitroimidazole and their methyl derivatives

(2008) Xinfang Su et al.   JOURNAL OF HAZARDOUS MATERIALS

A density functional study of substituted pyrazole derivatives

(2008) Yu-Fang Li et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

On some strategies to design new high energy density molecules

(2008) T. Mondal et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Theoretical studies on new potential high energy density compounds (HEDCs) adamantyl nitrates from gas to solid

(2008) XiaoJuan Xu et al.   Science in China. Series B, Chemistry