Vol 10 Nr 1 – Page 2 – Łukasiewicz-IPO

CEJEM, Vol 10 Nr 1, 2013

The Relationship Between the Heats of Formation and the Molecular Electrostatic Potentials of Polyazaarenes

Monika BARTOŠKOVÁ and Zdeněk FRIEDL
Keywords: high-nitrogen compounds, azines, azoles, heat of formation, molecular surface electrostatic potential
Article (PDF)

CEJEM, Vol 10 Nr 1, 2013

Use of a Hot-Spot Model to Describe the Influence of Particle Size and Distance on Combustion in a Cloud

Stefan KELZENBERG, Sebastian KNAPP, Volker WEISER and Norbert EISENREICH
Keywords: combustion, particles, hot-spot-model
Article (PDF)

CEJEM, Vol 10 Nr 1, 2013

Crystal Density Prediction, Charge Density Distribution and the Explosive Properties of the Highly Energetic Molecule 2-Methyl-5-nitramino-tetrazole: a DFT and AIM Study

Ponnusamy SRINIVASAN and Poomani KUMARADHAS
Keywords: crystal density, electron density, Laplacian of electron density, impact sensitivity, electrostatic potential
Article (PDF)

CEJEM, Vol 10 Nr 1, 2013

Computational Characterization of Two Di-1,2,3,4- tetrazine Tetraoxides, DTTO and iso-DTTO, as Potential Energetic Compounds

Peter POLITZER, Pat LANE and Jane S. MURRAY
Keywords: DTTO, iso-DTTO, detonation properties, impact sensitivities
Article (PDF)