Structure, aromaticity, stability, and energetic performance of the analogues and derivatives of s-heptazine

A theoretical study on 1,5-diazido-3-nitrazapentane (DANP) and 1,7-diazido-2,4,6-trinitrazaheptane (DATNH): molecular and crystal structures, thermodynamic and detonation properties, and pyrolysis mechanism

(2013) Junqing Yang et al.   JOURNAL OF MOLECULAR MODELING

A theoretical prediction of the molecular and electronic structures, thermodynamic properties, and stability of 1,3-diazido-2-methyl-2-nitropropane (DAMNP)

(2013) Junqing Yang et al.   STRUCTURAL CHEMISTRY

Improved definition of bond orders for correlated wave functions

(2012) I. Mayer   CHEMICAL PHYSICS LETTERS

Computational Studies on the Crystal Structure, Thermodynamic Properties, Detonation Performance, and Pyrolysis Mechanism of 2,4,6,8-Tetranitro-1,3,5,7-tetraazacubane as a Novel High Energy Density Material

(2011) Fang Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Shannon entropy as a new measure of aromaticity, Shannon aromaticity

(2010) Siamak Noorizadeh et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Aromaticity study on tria-, penta- and hepta-fulvene derivatives

(2010) Siamak Noorizadeh et al.   Computational and Theoretical Chemistry

From Triazines to Heptazines: Deciphering the Local Structure of Amorphous Nitrogen-Rich Carbon Nitride Materials

(2008) James R. Holst et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

State of Art and recent trends in bulk carbon nitrides synthesis

(2007) Graziella Goglio et al.   MATERIALS SCIENCE & ENGINEERING R-REPORTS