Title : CPMD investigation of α-RDX and ε-CL-20: the transition of deflagration to detonation depending on the self-produced radicals.

Pub. Date : 2020 Apr 8

PMID : 32215417






14 Functional Relationships(s)
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Compound Name
Protein Name
Organism
1 1,3,5-Trinitroperhydro-1,3,5-triazine (RDX) and 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) are the classic high energy nitramine compounds. 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaaza-isowurtzitane epithelial membrane protein 1 Homo sapiens
2 Herein, we provide a detailed and systematic description of the decomposition for unit-cell alpha-RDX and epsilon-CL-20 under increased temperature, which can be summarized as C3H6O6N6 (RDX) NO + HNO + H2 + CO2 + HCHO + HNCN + N2O and C6H6O12N12 (CL-20) NO + HONO + 5HCN + CO2 + N2O + 3NO2. c3h6o6n6 epithelial membrane protein 1 Homo sapiens
3 Herein, we provide a detailed and systematic description of the decomposition for unit-cell alpha-RDX and epsilon-CL-20 under increased temperature, which can be summarized as C3H6O6N6 (RDX) NO + HNO + H2 + CO2 + HCHO + HNCN + N2O and C6H6O12N12 (CL-20) NO + HONO + 5HCN + CO2 + N2O + 3NO2. nitroxyl epithelial membrane protein 1 Homo sapiens
4 Herein, we provide a detailed and systematic description of the decomposition for unit-cell alpha-RDX and epsilon-CL-20 under increased temperature, which can be summarized as C3H6O6N6 (RDX) NO + HNO + H2 + CO2 + HCHO + HNCN + N2O and C6H6O12N12 (CL-20) NO + HONO + 5HCN + CO2 + N2O + 3NO2. nitroxyl epithelial membrane protein 1 Homo sapiens
5 Herein, we provide a detailed and systematic description of the decomposition for unit-cell alpha-RDX and epsilon-CL-20 under increased temperature, which can be summarized as C3H6O6N6 (RDX) NO + HNO + H2 + CO2 + HCHO + HNCN + N2O and C6H6O12N12 (CL-20) NO + HONO + 5HCN + CO2 + N2O + 3NO2. Hydrogen epithelial membrane protein 1 Homo sapiens
6 Herein, we provide a detailed and systematic description of the decomposition for unit-cell alpha-RDX and epsilon-CL-20 under increased temperature, which can be summarized as C3H6O6N6 (RDX) NO + HNO + H2 + CO2 + HCHO + HNCN + N2O and C6H6O12N12 (CL-20) NO + HONO + 5HCN + CO2 + N2O + 3NO2. N2,N6-bis(4-(2-aminoethoxy)quinolin-2-yl)-4-((4-fluorobenzyl)oxy)pyridine-2,6-dicarboxamide epithelial membrane protein 1 Homo sapiens
7 Herein, we provide a detailed and systematic description of the decomposition for unit-cell alpha-RDX and epsilon-CL-20 under increased temperature, which can be summarized as C3H6O6N6 (RDX) NO + HNO + H2 + CO2 + HCHO + HNCN + N2O and C6H6O12N12 (CL-20) NO + HONO + 5HCN + CO2 + N2O + 3NO2. hncn epithelial membrane protein 1 Homo sapiens
8 Herein, we provide a detailed and systematic description of the decomposition for unit-cell alpha-RDX and epsilon-CL-20 under increased temperature, which can be summarized as C3H6O6N6 (RDX) NO + HNO + H2 + CO2 + HCHO + HNCN + N2O and C6H6O12N12 (CL-20) NO + HONO + 5HCN + CO2 + N2O + 3NO2. Nitrous Oxide epithelial membrane protein 1 Homo sapiens
9 Herein, we provide a detailed and systematic description of the decomposition for unit-cell alpha-RDX and epsilon-CL-20 under increased temperature, which can be summarized as C3H6O6N6 (RDX) NO + HNO + H2 + CO2 + HCHO + HNCN + N2O and C6H6O12N12 (CL-20) NO + HONO + 5HCN + CO2 + N2O + 3NO2. c6h6o12n12 epithelial membrane protein 1 Homo sapiens
10 Herein, we provide a detailed and systematic description of the decomposition for unit-cell alpha-RDX and epsilon-CL-20 under increased temperature, which can be summarized as C3H6O6N6 (RDX) NO + HNO + H2 + CO2 + HCHO + HNCN + N2O and C6H6O12N12 (CL-20) NO + HONO + 5HCN + CO2 + N2O + 3NO2. Nitrous Acid epithelial membrane protein 1 Homo sapiens
11 Herein, we provide a detailed and systematic description of the decomposition for unit-cell alpha-RDX and epsilon-CL-20 under increased temperature, which can be summarized as C3H6O6N6 (RDX) NO + HNO + H2 + CO2 + HCHO + HNCN + N2O and C6H6O12N12 (CL-20) NO + HONO + 5HCN + CO2 + N2O + 3NO2. 5hcn epithelial membrane protein 1 Homo sapiens
12 Herein, we provide a detailed and systematic description of the decomposition for unit-cell alpha-RDX and epsilon-CL-20 under increased temperature, which can be summarized as C3H6O6N6 (RDX) NO + HNO + H2 + CO2 + HCHO + HNCN + N2O and C6H6O12N12 (CL-20) NO + HONO + 5HCN + CO2 + N2O + 3NO2. N2,N6-bis(4-(2-aminoethoxy)quinolin-2-yl)-4-((4-fluorobenzyl)oxy)pyridine-2,6-dicarboxamide epithelial membrane protein 1 Homo sapiens
13 Herein, we provide a detailed and systematic description of the decomposition for unit-cell alpha-RDX and epsilon-CL-20 under increased temperature, which can be summarized as C3H6O6N6 (RDX) NO + HNO + H2 + CO2 + HCHO + HNCN + N2O and C6H6O12N12 (CL-20) NO + HONO + 5HCN + CO2 + N2O + 3NO2. Nitrous Oxide epithelial membrane protein 1 Homo sapiens
14 Herein, we provide a detailed and systematic description of the decomposition for unit-cell alpha-RDX and epsilon-CL-20 under increased temperature, which can be summarized as C3H6O6N6 (RDX) NO + HNO + H2 + CO2 + HCHO + HNCN + N2O and C6H6O12N12 (CL-20) NO + HONO + 5HCN + CO2 + N2O + 3NO2. 3no2 epithelial membrane protein 1 Homo sapiens