Keywords: خصوصیات انفجاری; Azaoxaisowurtzitane derivatives; Density functional theory; Detonation properties; Thermal stability; Impact sensitivity;
مقالات ISI خصوصیات انفجاری (ترجمه نشده)
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Keywords: خصوصیات انفجاری; Density functional calculations; Heats of formation; High-density energy compounds; Detonation properties; Bond energy;
Comparison of detonation characteristics in energy output of gaseous JP-10 and propylene oxide in air
Keywords: خصوصیات انفجاری; JP-10; Propylene oxide; Detonation properties; Reaction dynamics; Numerical simulations;
A good balance between the energy density and sensitivity from assembly of bis(dinitromethyl) and bis(fluorodinitromethyl) with a single furazan ring
Keywords: خصوصیات انفجاری; Energetic material; Furazan; Bis(dinitromethyl); Bis(fluorodinitromethyl); Crystal structure; Thermolysis; Detonation properties;
Three new energetic compounds based on 1-amino-2-nitroguanidine (ANQ): Synthesis, crystal structure and properties
Keywords: خصوصیات انفجاری; 1-Amino-2-nitroguanidine (ANQ); Crystal structure; Thermal behavior; Detonation properties;
Quantum-chemical design of tetrazolo[1,5-b][1,2,4,5]tetrazine based nitrogen-rich energetic materials
Keywords: خصوصیات انفجاری; Tetrazole; Density functional theory; Heat of formation; Power index; Detonation properties;
Comparative theoretical studies of energetic dodecahydrodiimidazo[4,5-b:4â²,5â²-e]pyrazine derivatives
Keywords: خصوصیات انفجاری; Density functional theory (DFT); Dodecahydrodiimidazo[4,5-b:4â²,5â²-e]pyrazine derivatives; Heat of formation; Detonation properties; Thermal stability;
DFT studies on trinitromethyl- or dinitromethyl-modified derivatives of RDX and β-HMX
Keywords: خصوصیات انفجاری; Trinitromethyl or dinitromethyl group; Density functional theory; Heats of formation; Detonation properties; Strain energy; Bond dissociation energy;
Computational studies on thermodynamic properties, detonation properties and bond dissociation energies for polydifluoroaminopurine compounds
Keywords: خصوصیات انفجاری; Polydifluoroaminopurines; Density functional theory; Heats of formation; Detonation properties; Bond dissociation energy
Structure–property relationships of energetic nitrogen-rich salts composed of triaminoguanidinium or ammonium cation and tetrazole-based anions
Keywords: خصوصیات انفجاری; Density functional theory; Crystal density; Heats of formation; Detonation properties; Thermodynamics of salt formation
Computational studies on the heats of formation, energetic properties, and thermal stability of energetic nitrogen-rich furazano[3,4-b]pyrazine-based derivatives
Keywords: خصوصیات انفجاری; Furazano[3,4-b]pyrazine derivatives; Density functional theory; Heats of formation; Detonation properties; Bond dissociation energy;
Density functional theory studies of energetic nitrogen-rich derivatives of substituted carbon-bridged diiminotetrazoles
Keywords: خصوصیات انفجاری; Diiminotetrazole derivatives; Density functional theory; Heats of formation; Bond dissociation energy; Detonation properties;
Shock and detonation properties of solid explosives with gaseous products
Keywords: خصوصیات انفجاری; Equation of state; Shock Hugoniot; Detonation properties; Solid explosives; Gaseous products;
Molecular dynamic simulations on the structures and properties of É-CL-20(0Â 0Â 1)/F2314 PBX
Keywords: خصوصیات انفجاری; Molecular dynamics (MD); Polymer bonded explosives (PBX); Mechanical properties; Pair correlation functions g(r); Binding energies (Ebind); Detonation properties;
A DFT theoretical study of heats of formation and detonation properties of nitrogen-rich explosives
Keywords: خصوصیات انفجاری; 3,6-Diazido-1,2,4,5-tetrazine; N-oxides of 3,3â²-azo-bis(6-amino-1,2,4,5-tetrazine); B3LYP method; Heat of formation; Detonation properties;
On some strategies to design new high energy density molecules
Keywords: خصوصیات انفجاری; High energy density molecules; Structure and stability; Detonation properties;
Theoretical studies on the structures, thermodynamic properties, detonation properties, and pyrolysis mechanisms of four trinitrate esters
Keywords: خصوصیات انفجاری; Nitrate esters; Thermodynamic property; Density functional theory; Pyrolysis mechanism; Detonation properties;
Theoretical studies on polynitro-1,3-bishomopentaprismanes as potential high energy density compounds
Keywords: خصوصیات انفجاری; Density functional theory; Heat of formation; Density; Detonation properties; Bond dissociation energy;
Density functional theory study of piperidine and diazocine compounds
Keywords: خصوصیات انفجاری; Heats of formation; Density functional theory; Isodesmic reaction; Bond dissociation energy; Detonation properties; Piperidine and diazocine compounds;
Non-isothermal decomposition kinetics, thermal behavior and computational detonation properties on 4-amino-1,2,4-triazol-5-one (ATO)
Keywords: خصوصیات انفجاری; 4-Amino-1,2,4-triazol-5-one (ATO); Decomposition kinetics; Thermal behavior; Detonation properties
A theoretical study on the structure and properties of DPO (2,5-dipicryl-1,3,4-oxadiazole)
Keywords: خصوصیات انفجاری; DPO; Density functional theory; IR; Detonation properties; Pyrolysis mechanism;