Comparative study on the thermal decomposition of structural isomers: Pyrazole and imidazole energetic materials

A new mixed pyrazole-diamine/Ni(II) complex, Crystal structure, physicochemical, thermal and antibacterial investigation

(2021) Abderrahim Titi et al.   JOURNAL OF MOLECULAR STRUCTURE

Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials

(2020) Wei Huang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis and XRD of Novel Ni4(µ3-O)4 Twist Cubane Cluster Using Three NNO Mixed Ligands: Hirshfeld, Spectral, Thermal and Oxidation Properties

(2020) Abderrahim Titi et al.   JOURNAL OF CLUSTER SCIENCE

Thermochemistry and Initial Decomposition Pathways of Triazole Energetic Materials

(2020) Meiheng Lu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Accurate Prediction of Bond Dissociation Energies and Barrier Heights for High-Energy Caged Nitro and Nitroamino Compounds Using a Coupled Cluster Theory

(2019) Vitaly G. Kiselev et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Decomposition Kinetics of Substituted Energetic Isowurtzitane Cage Molecules Hexanitrohexaazaisowurtzitane (CL‐20) and TEX: A Comparative Study

(2019) Anuj A Vargeese   ChemistrySelect

Impact of Stereo- and Regiochemistry on Energetic Materials

(2019) Lisa M. Barton et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Comparative study of thermal stability and combustion of dinitropyrazole isomers

(2018) V.P. Sinditskii et al.   THERMOCHIMICA ACTA

Effect of density on the thermal decomposition mechanism of ε-CL-20: a ReaxFF reactive molecular dynamics simulation study

(2018) Fuping Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Initial Mechanisms for the Unimolecular Thermal Decomposition of 2,6-Diamino-3,5-dinitropyrazine-1-oxide

(2018) Nianshou Cheng et al.   MOLECULES

Double-slit photoelectron interference in strong-field ionization of the neon dimer

(2018) Maksim Kunitski et al.   Nature Communications

Thermal and combustion behavior of novel oxygen-rich energetic pyrazoles

(2017) Valery V. Serushkin et al.   JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY

Thermal decomposition peculiarities and combustion behavior of nitropyrazoles

(2017) V.P. Sinditskii et al.   THERMOCHIMICA ACTA

Decomposition of a 1,3,5-Triamino-2,4,6-trinitrobenzene Crystal at Decomposition Temperature Coupled with Different Pressures: An ab Initio Molecular Dynamics Study

(2015) Qiong Wu et al.   Journal of Physical Chemistry C

On the Decomposition Mechanisms of New Imidazole-Based Energetic Materials

(2013) Zijun Yu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Isoconversional Kinetic Analysis of Decomposition of Nitroimidazoles: Friedman method vs Flynn–Wall–Ozawa Method

(2013) M. Venkatesh et al.   JOURNAL OF PHYSICAL CHEMISTRY A

First-Principles-Based Reaction Kinetics for Decomposition of Hot, Dense Liquid TNT from ReaxFF Multiscale Reactive Dynamics Simulations

(2013) Naomi Rom et al.   Journal of Physical Chemistry C

Isoconversional kinetic analysis of decomposition of nitropyrazoles

(2012) P. Ravi et al.   THERMOCHIMICA ACTA

ReaxFF-lg: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials

(2011) Lianchi Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Parallel reactive molecular dynamics: Numerical methods and algorithmic techniques

(2011) H.M. Aktulga et al.   PARALLEL COMPUTING

Thermal decomposition of pyrazole to vinylcarbene+N2: A first principles/RRKM study

(2009) Gabriel da Silva   CHEMICAL PHYSICS LETTERS

Retro-[3 + 2]-Cycloaddition Reactions in the Decomposition of Five-Membered Nitrogen-Containing Heterocycles

(2008) Gabriel da Silva et al.   JOURNAL OF ORGANIC CHEMISTRY

Ion Chemistry of 1H-1,2,3-Triazole. 2. Photoelectron Spectrum of the Iminodiazomethyl Anion and Collision Induced Dissociation of the 1,2,3-Triazolide Ion

(2008) Takatoshi Ichino et al.   JOURNAL OF PHYSICAL CHEMISTRY A