Reaction mechanism from quantum molecular dynamics for the initial thermal decomposition of 2,4,6-triamino-1,3,5-triazine-1,3,5-trioxide (MTO) and 2,4,6-trinitro-1,3,5-triazine-1,3,5-trioxide (MTO3N), promising green energetic materials

Initial decomposition reaction of di-tetrazine-tetroxide (DTTO) from quantum molecular dynamics: implications for a promising energetic material

(2015) Cai-Chao Ye et al.   Journal of Materials Chemistry A

Initial Steps of Thermal Decomposition of Dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate Crystals from Quantum Mechanics

(2014) Qi An et al.   Journal of Physical Chemistry C

Decomposition of Condensed Phase Energetic Materials: Interplay between Uni- and Bimolecular Mechanisms

(2014) David Furman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Jaguar: A high-performance quantum chemistry software program with strengths in life and materials sciences

(2013) Art D. Bochevarov et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Aminoxyl (Nitroxyl) Radicals in the Early Decomposition of the Nitramine RDX

(2013) Karl K. Irikura   JOURNAL OF PHYSICAL CHEMISTRY A

Universal Correction of Density Functional Theory to Include London Dispersion (up to Lr, Element 103)

(2012) Hyungjun Kim et al.   Journal of Physical Chemistry Letters

Ionization-Enhanced Decomposition of 2,4,6-Trinitrotoluene (TNT) Molecules

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

Thermal Decomposition of Condensed-Phase Nitromethane from Molecular Dynamics from ReaxFF Reactive Dynamics

(2011) Si-ping Han et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Thermal unimolecular decomposition mechanism of 2,4,6-trinitrotoluene: a first-principles DFT study

(2010) Xiao-Fang Chen et al.   THEORETICAL CHEMISTRY ACCOUNTS

Applications of proton transfer reaction time-of-flight mass spectrometry for the sensitive and rapid real-time detection of solid high explosives

(2009) C.A. Mayhew et al.   INTERNATIONAL JOURNAL OF MASS SPECTROMETRY

Environmentally compatible next generation green energetic materials (GEMs)

(2008) M.B. Talawar et al.   JOURNAL OF HAZARDOUS MATERIALS

Advances in science and technology of modern energetic materials: An overview

(2007) D.M. Badgujar et al.   JOURNAL OF HAZARDOUS MATERIALS