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Theoretical Investigation on Structures, Densities, Detonation Properties, and the Pyrolysis Mechanism of the Derivatives of HNS

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Optimization of parameters for semiempirical methods I. Method
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Ab Initio prediction of possible crystal structures for general organic molecules
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Electron impact fragmentation mechanisms of 2,4,6‐trinitrotoluene derived from metastable transitions and isotopic labeling
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The relationship of Impact Sensitivity with Structure of Organic High Explosives. II. Polynitroaromatic explosives
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Theoretical study of the structures and properties of cyclic nitramines: Tetranitrotetraazadecalin (TNAD) and its isomers
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Looking for high‐energy density compounds among hexaazaadamantane derivatives with CN, NC, and ONO2 groups
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The influence of polarization functions on molecular orbital hydrogenation energies
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Decomposition of some polynitro arenes initiated by heat and shock
inferredcites →https://doi.org/10.1016/j.jhazmat.2006.05.021openalex-snapshot
Decomposition of some polynitro arenes initiated by heat and shock
inferredcites →https://doi.org/10.1016/j.jhazmat.2006.06.135openalex-snapshot
Crystal density predictions for nitramines based on quantum chemistry
inferredcites →https://doi.org/10.1016/s0040-6031(02)00099-0openalex-snapshot
A study on the thermal decomposition behaviors of PETN, RDX, HNS and HMX
inferredcites →https://doi.org/10.1016/s0166-1280(96)04621-0openalex-snapshot
Comparison of density functional calculations of C-NO2, N-NO2 and C-NF2 dissociation energies
inferredcites →https://doi.org/10.1016/s0304-3894(01)00178-9openalex-snapshot
Important aspects of behaviour of organic energetic compounds: a review
inferredcites →https://doi.org/10.1021/j100199a034openalex-snapshot
Deuterium isotope effects on the rates of thermal decomposition of 2,2',4,4',6,6'-hexanitrostilbene in the condensed phase
inferredcites →https://doi.org/10.1021/ja970392iopenalex-snapshot
Ab Initio Density Functional Computations of Conformations and Bond Dissociation Energies for Hexahydro-1,3,5-trinitro-1,3,5-triazine
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Reactions of α-Substituted Polynitrotoluenes. I. Synthesis of 2,2',4,4',6,6'-Hexanitrostilbene
inferredcites →https://doi.org/10.1021/jo01341a050openalex-snapshot
Reactions of α-Substituted Polynitrotoluenes. II. The Generation and Reactions of 2,4,6-Trinitrobenzyl Anion
inferredcites →https://doi.org/10.1021/jp040472qopenalex-snapshot
Theoretical Studies on the Vibrational Spectra, Thermodynamic Properties, Detonation Properties, and Pyrolysis Mechanisms for Polynitroadamantanes
inferredcites →https://doi.org/10.1021/jp047334lopenalex-snapshot
Assessing a Generalized CHNO Intermolecular Potential through ab Initio Crystal Structure Prediction
inferredcites →https://doi.org/10.1021/jp054169gopenalex-snapshot
Theoretical Studies on the Structures, Thermodynamic Properties, Detonation Properties, and Pyrolysis Mechanisms of Spiro Nitramines
inferredcites →https://doi.org/10.1021/jp0575557openalex-snapshot
Computational Studies on Polynitrohexaazaadmantanes as Potential High Energy Density Materials
inferredcites →https://doi.org/10.1021/jp9903209openalex-snapshot
Studies on Heats of Formation for Tetrazole Derivatives with Density Functional Theory B3LYP Method
inferredcites →https://doi.org/10.1023/a:1016607906625openalex-snapshot
New Atom/Functional Group Volume Additivity Data Bases for the Calculation of the Crystal Densities of C-, H-, N-, O-, F-, S-, P-, Cl-, and Br-Containing Compounds
inferredcites →https://doi.org/10.1063/1.1479136openalex-snapshot
Computational studies on the infrared vibrational spectra, thermodynamic properties, detonation properties, and pyrolysis mechanism of octanitrocubane
inferredcites →https://doi.org/10.1063/1.1667908openalex-snapshot
Chemistry of Detonations. I. A Simple Method for Calculating Detonation Properties of C–H–N–O Explosives
inferredcites →https://doi.org/10.1063/1.1740588openalex-snapshot
Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I
inferredcites →https://doi.org/10.1063/1.460205openalex-snapshot
Gaussian-2 theory for molecular energies of first- and second-row compounds
inferredcites →https://doi.org/10.1063/1.463343openalex-snapshot
Density-functional thermochemistry. II. The effect of the Perdew–Wang generalized-gradient correlation correction
inferredcites →https://doi.org/10.1080/07370658308010629openalex-snapshot
Initiation mechanism of TNT: Deuterium isotope effect as an experimental probe
inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
inferredcites →https://doi.org/10.1201/b17118openalex-snapshot
CRC Handbook of Chemistry and Physics
inferredcites →https://doi.org/10.1360/02yb9004openalex-snapshot
Theoretical prediction on heats of formation for polyisocyanocubanes ?? Looking for typical high energetic density material (HEDM)
inferredcites →https://doi.org/10.1360/cjcp2006.19(5).395.6openalex-snapshot
Theoretical Studies on Structures and Relative Stability for Polynitrohexaazaadamantanes

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Exploration of Super Heat-Resistant Monomeric Explosive Featuring Triptycene Core Structure
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Theoretical determination of the effects of various linkages between trinitrobenzenes on energetic properties and sensitivity
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Molecular dynamics insight into the evolution of AlH3 nanoparticles in the thermal decomposition of insensitive energetic materials
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Comparative theoretical studies of substituted bridged bipyridines and their N-oxides
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Revealing the decomposition behavior of hexanitrostilbene and aluminum nanoparticles composites: A reactive molecular dynamics simulation
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Theoretical design of bicyclo[2.2.1]heptane derivatives for high-energy density compounds with low impact sensitivity
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An evaluation of complementary approaches to elucidate fundamental interfacial phenomena driving adhesion of energetic materials
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Reaction kinetics of mixture of nitromethane and detonator confined in carbon nanotube
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Density functional theory study of high-pressure behavior of crystalline hexanitrostilbene
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Prediction of crystalline densities of polynitro arenes for estimation of their detonation performance based on quantum chemistry
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A Green and Effective Approach of Two-Step 2,2′,4,4′,6,6′-Hexanitrostilbene Preparation and Its Industrial Scale Study
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Theoretical Prediction of Properties of Aliphatic Polynitrates
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Substituent Effects on the Properties Related to Detonation Performance and Sensitivity for 2,2′,4,4′,6,6′-Hexanitroazobenzene Derivatives
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Theoretical Studies on the Heats of Formation, Detonation Properties, and Pyrolysis Mechanisms of Energetic Cyclic Nitramines
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Three-dimensional hierarchical 2,2,4,4,6,6-hexanitrostilbene crystalline clusters prepared by controllable supramolecular assembly and deaggregation process
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Computational assessment of nitrogen-rich peracids: a family of peroxide-based energetic materials
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Theoretical Investigation of Pyridine Derivatives as High Energy Materials
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Nanoscale Effect on Thermal Decomposition of 2,2′,4,4′,6,6′-Hexanitrostilbene by Dynamic Pressure Measuring Thermal Analysis
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Theoretical study on polyglycerine polynitrates for potential high-energy plasticizers of propellants
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A THEORETICAL STUDY ON THE INFRARED SPECTRA, THERMODYNAMIC FUNCTIONS, AND DETONATION PARAMETERS FOR THE – CN , – NC , – NNO2 and – ONO2 DERIVATIVES OF HNS
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Nano-HNS Particles: Mechanochemical Preparation and Properties Investigation
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