Search Results - "Racoveanu, Ana"
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New thermal decomposition pathway for TATB
Published in Scientific reports (01-12-2023)“…Understanding the thermal decomposition behavior of TATB (1,3,5-triamino-2,4,6-trinitrobenzene) is a major focus in energetic materials research because of…”
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3-(4-Amino-1,2,5-oxadiazol-3-yl)-4-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole
Published in MolBank (22-05-2014)“…The title compound 3-(4-amino-1,2,5-oxadiazol-3-yl)-4-(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole (ANFF-1) was synthesized by: (1) by reaction of…”
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Searching for Low-Sensitivity Cast-Melt High-Energy-Density Materials: Synthesis, Characterization, and Decomposition Kinetics of 3,4-Bis(4-nitro-1,2,5-oxadiazol-3-yl)-1,2,5-oxadiazole-2-oxide
Published in Journal of physical chemistry. C (19-02-2015)“…The most comprehensive approach to analyze and characterize energetic materials is suggested and applied to enable rational, rigorous design of novel materials…”
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Probing the Structural Effects of Hydrogen Bonding in 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB): Experimental Evidence by 15N NMR Spectroscopy
Published in Journal of physical chemistry. C (10-11-2022)“…Examining isotopically 15N-labeled versions of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) by NMR has experimentally demonstrated the effects of strong intra-…”
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Comprehensive End-to-End Design of Novel High Energy Density Materials: I. Synthesis and Characterization of Oxadiazole Based Heterocycles
Published in Journal of physical chemistry. C (02-11-2017)“…A methodology to design novel energetic materials by means of a holistic approach that links synthesis, experimental characterization, quantum-chemical…”
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TATB thermal decomposition: An improved kinetic model for explosive safety analysis
Published in Propellants, explosives, pyrotechnics (20-12-2023)“…Abstract We investigate and model the cook‐off behavior of 1,3,5‐triamino‐2,4,6‐trinitrobenzene (TATB) to understand the response of explosive systems in…”
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Comparative analysis of sublimation and thermal decomposition of TATB
Published in Propellants, explosives, pyrotechnics (01-02-2024)“…This experimental study investigated the effects of confinement, starting mass, and heating rate on TATB thermal decomposition and sublimation using a combined…”
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Understanding TATB (1,3,5‐triamino‐2,4,6‐trinitrobenzene) thermal decomposition
Published in Propellants, explosives, pyrotechnics (01-02-2024)Get full text
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TATB thermal decomposition: An improved kinetic model for explosive safety analysis
Published in Propellants, explosives, pyrotechnics (01-02-2024)“…We investigate and model the cook‐off behavior of 1,3,5‐triamino‐2,4,6‐trinitrobenzene (TATB) to understand the response of explosive systems in abnormal…”
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Syntheses and characterization of isotopically labeled 1,3,5‐triamino‐2,4,6‐trinitrobenzene (TATB)
Published in Propellants, explosives, pyrotechnics (01-02-2024)“…Synthesis and characterization of chemical analogues of TATB, where specific atoms in the structure have been isotopically substituted, are reported. 15N, 2H,…”
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Experimental Investigation of the Thermal Decomposition Pathways and Kinetics of TATB by Isotopic Substitution
Published in Propellants, explosives, pyrotechnics (01-09-2021)“…Real‐time measurements of the product gases arising from the thermal decomposition of triamino‐trinitro benzene (TATB), its deuterated analogue, and…”
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Vibrational Spectra of HNIW and its Isotopologues: A Combined Experimental and Computational Study
Published in Propellants, explosives, pyrotechnics (01-03-2023)“…Incorporating isotopically labelled materials in degradation experiments could help unravel the mechanism(s) of decomposition through use of the kinetic…”
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Electronic and Molecular Structure of Aminimides (1-Acyl-2,2,2-trimethyldiazan-2-ium-1-ide). 1. Formaminimide (HCON-N+Me3)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (23-03-2006)“…The electronic structure and geometries of (Z)- and (E)-H-CON-N+(CH3)3 have been examined at two levels of theory: B3LYP (basis sets 6-311+G(d,p),…”
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Electronic and molecular structure of aminimides (1-acyl-2,2,2-trimethyl-diazan-2-ium-1-ide). 2. Substituted aminimides (R CON −N +Me 3)
Published in Journal of molecular structure. Theochem (30-08-2009)“…The electronic structure and geometries of substituted aminimides (R CON −N +(CH 3) 3) where R = H, F, OH, NH 2, N −N +(CH 3) 3, NO, NO 2, CN, CH 3, CF 3, CH…”
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Acid-Catalyzed Degenerate Isomerization of Biphenyl
Published in Journal of organic chemistry (01-06-1995)Get full text
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