All Stories

  1. Screening for potential energetic C–N cages with high energy and good stability: a theoretical comparative study

    Article • Molecular Simulation, November 2018, Taylor & Francis

    Professor Xuedong Gong

  2. A DFT-D study on the stability and intramolecular interactions of the energetic salts of 3,6-dihydrazido-1,2,4,5-tetrazine

    Article • Canadian Journal of Chemistry, January 2016, Canadian Science Publishing

    Professor Xuedong Gong

  3. Comparing the performance of aliphatic azido nitramines, nitrate esters, and nitro compounds: theoretical design and investigation

    Article • Canadian Journal of Chemistry, November 2015, Canadian Science Publishing

    Professor Xuedong Gong

  4. Design of new aliphatic azido nitro compounds as plasticizer: an initial exploration on AFCTEE (1-azido-formic acid 1,1,1-trinitro-ethyl ester)

    Article • Canadian Journal of Chemistry, July 2015, Canadian Science Publishing

    Professor Xuedong Gong

  5. Density functional theory and molecular dynamic investigations on the energetic and mechanical properties of nitrocellulose/nitroglycerin/pentaerythritol diazido dinitrate composites

    Article • Polymer Composites, May 2015, Wiley

    Professor Xuedong Gong

  6. 1H/2H and azide/tetrazole isomerizations and their effects on the aromaticity and stability of azido triazoles

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Professor Xuedong Gong

  7. Pyridylpentazole and its derivatives: a new source of N5−?

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Professor Xuedong Gong

  8. Theoretical investigation of rare gas adsorption on and inside B-doped carbon nanotubes by DFT, QTAIM and NBO

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    Professor Xuedong Gong

  9. A theoretical study of 3,5-diazido-1,2,4-triazole: the role of the hydrogen bonding interaction in stabilizing the molecular system

    Article • Canadian Journal of Chemistry, September 2014, Canadian Science Publishing

    Professor Xuedong Gong

  10. DFT Studies on a Series of Nitramines Containing Pyridine Ring

    Article • Polycyclic Aromatic Compounds, August 2014, Taylor & Francis

    Professor Xuedong Gong

  11. A theoretical study on the stability and detonation performance of 2,2,3,3-tetranitroaziridine (TNAD)

    Article • Journal of Physical Organic Chemistry, March 2014, Wiley

    Professor Xuedong Gong

  12. Molecular dynamics and dissipative particle dynamics simulations of the miscibility and mechanical properties of GAP/DIANP blending systems

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Professor Xuedong Gong

  13. Exploring highly energetic aliphatic azido nitramines for plasticizers

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Professor Xuedong Gong

  14. Density functional theory study of high‐pressure effect on crystalline 4,4′,6,6′‐tetra(azido)hydrazo‐1,3,5‐triazine

    Article • Journal of Computational Chemistry, May 2012, Wiley

    Professor Xuedong Gong