Substituted triazolo-triazine derivatives as energetic materials: a computational investigation and assessment

Energetic Derivatives of 8-Nitropyrazolo[1,5-a][1,3,5]triazine-2,4,7-triamine: Achieving Balanced Explosives by Fusing Pyrazole with Triazine

(2020) Jinchao Ma et al.   ORGANIC LETTERS

Theoretical determination of the effects of various linkages between trinitrobenzenes on energetic properties and sensitivity

(2019) Ayushi Nirwan et al.   JOURNAL OF MOLECULAR MODELING

DFT studies on nitrogen-rich pyrazino [2, 3-e] [1, 2, 3, 4] tetrazine–based high–energy density compounds

(2019) Raza Ullah Khan et al.   JOURNAL OF MOLECULAR MODELING

Amino-nitramino functionalized triazolotriazines: a good balance between high energy and low sensitivity

(2018) Jinchao Ma et al.   DALTON TRANSACTIONS

Conjugated Energetic Salts Based on Fused Rings: Insensitive and Highly Dense Materials

(2018) Lu Hu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computational analysis of polyazoles and their N-oxides

(2017) Peter Politzer et al.   STRUCTURAL CHEMISTRY

High Performance, Low Sensitivity: Conflicting or Compatible?

(2016) Peter Politzer et al.   PROPELLANTS EXPLOSIVES PYROTECHNICS

Impact sensitivity and the maximum heat of detonation

(2015) Peter Politzer et al.   JOURNAL OF MOLECULAR MODELING

Some molecular/crystalline factors that affect the sensitivities of energetic materials: molecular surface electrostatic potentials, lattice free space and maximum heat of detonation per unit volume

(2015) Peter Politzer et al.   JOURNAL OF MOLECULAR MODELING

Impact sensitivity and crystal lattice compressibility/free space

(2014) Peter Politzer et al.   JOURNAL OF MOLECULAR MODELING

Theoretical investigations on structure, density, detonation properties, and sensitivity of the derivatives of PYX

(2012) Hui Liu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Periodic density functional theory study of the high-pressure behavior of energetic crystalline 1,4-dinitrofurazano[3, 4-b]piperazine

(2012) Wentao Wang et al.   JOURNAL OF MOLECULAR MODELING

Computational Studies on Energetic Properties of Trinitro-Substituted Imidazole–Triazole and Pyrazole–Triazole Derivatives

(2012) Vikas D. Ghule   JOURNAL OF PHYSICAL CHEMISTRY A

Studies on energetic properties for nitrotetrazole substituted triazole and oxadiazole derivatives with density functional theory

(2012) Vikas D. Ghule   MOLECULAR PHYSICS

Synthesis and characterization of 1,1′-azobis(5-methyltetrazole)

(2012) Yongxing Tang et al.   NEW JOURNAL OF CHEMISTRY

Azole-Based Energetic Salts

(2011) Haixiang Gao et al.   CHEMICAL REVIEWS

Sensitivity and the available free space per molecule in the unit cell

(2011) Miroslav Pospíšil et al.   JOURNAL OF MOLECULAR MODELING

Comparative Theoretical Studies of Energetic Azo s-Triazines

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

Estimated Gas-Phase Standard State Enthalpies of Formation for Organic Compounds Using the Gaussian-4 (G4) and W1BD Theoretical Methods

(2010) Sierra Rayne et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

A possible crystal volume factor in the impact sensitivities of some energetic compounds

(2009) Miroslav Pospíšil et al.   JOURNAL OF MOLECULAR MODELING

Molecular Design of 1,2,4,5-Tetrazine-Based High-Energy Density Materials

(2009) Tao Wei et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Development of quantitative structure–property relationships for predictive modeling and design of energetic materials

(2008) Jason A. Morrill et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING