Energetic salts from nitroformate ion
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| 024 | 7 | 0 | |a 10.1007/s00894-015-2682-5 |2 doi |
| 035 | |a (NATIONALLICENCE)springer-10.1007/s00894-015-2682-5 | ||
| 245 | 0 | 0 | |a Energetic salts from nitroformate ion |h [Elektronische Daten] |c [Pandurang Jadhav, S. Radhakrishnan, Vikas Ghule, Raj Pandey] |
| 520 | 3 | |a Development of new energetic salts is the key factor in replacing low performance compounds in conventional formulations of high explosives as well as propellants. Ten salts based on the nitroformate anion and various nitrogen-rich cations were designed and their geometric optimizations carried out using the density functional method. With reasonable oxygen balance (from −36% to 0%), heats of formation (47-624kJmol−1) and high densities (1.81-1.89gcm−3), the detonation velocity (D) and pressure (P) values of salts were calculated as 8.62-9.36kms−1 and 33.10-40.01GPa, respectively. Lastly, the nitroformate salts studied in this work are of prospective interest as high performance explosives. Graphical Abstract Formation of nitroformate salt from nitroformate anion and a nitrogen-rich cation | |
| 540 | |a Springer-Verlag Berlin Heidelberg, 2015 | ||
| 690 | 7 | |a Nitroformate |2 nationallicence | |
| 690 | 7 | |a Energetic salt |2 nationallicence | |
| 690 | 7 | |a Lattice energy |2 nationallicence | |
| 690 | 7 | |a Heat of formation |2 nationallicence | |
| 690 | 7 | |a Detonation |2 nationallicence | |
| 700 | 1 | |a Jadhav |D Pandurang |u High Energy Materials Research Laboratory (HEMRL), Pune, India |4 aut | |
| 700 | 1 | |a Radhakrishnan |D S. |u High Energy Materials Research Laboratory (HEMRL), Pune, India |4 aut | |
| 700 | 1 | |a Ghule |D Vikas |u Department of Chemistry, National Institute of Technology, 136119, Kurukshetra, Haryana, India |4 aut | |
| 700 | 1 | |a Pandey |D Raj |u High Energy Materials Research Laboratory (HEMRL), Pune, India |4 aut | |
| 773 | 0 | |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/5(2015-05-01), 1-5 |x 1610-2940 |q 21:5<1 |1 2015 |2 21 |o 894 | |
| 856 | 4 | 0 | |u https://doi.org/10.1007/s00894-015-2682-5 |q text/html |z Onlinezugriff via DOI |
| 898 | |a BK010053 |b XK010053 |c XK010000 | ||
| 900 | 7 | |a Metadata rights reserved |b Springer special CC-BY-NC licence |2 nationallicence | |
| 908 | |D 1 |a research-article |2 jats | ||
| 949 | |B NATIONALLICENCE |F NATIONALLICENCE |b NL-springer | ||
| 950 | |B NATIONALLICENCE |P 856 |E 40 |u https://doi.org/10.1007/s00894-015-2682-5 |q text/html |z Onlinezugriff via DOI | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Jadhav |D Pandurang |u High Energy Materials Research Laboratory (HEMRL), Pune, India |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Radhakrishnan |D S. |u High Energy Materials Research Laboratory (HEMRL), Pune, India |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Ghule |D Vikas |u Department of Chemistry, National Institute of Technology, 136119, Kurukshetra, Haryana, India |4 aut | ||
| 950 | |B NATIONALLICENCE |P 700 |E 1- |a Pandey |D Raj |u High Energy Materials Research Laboratory (HEMRL), Pune, India |4 aut | ||
| 950 | |B NATIONALLICENCE |P 773 |E 0- |t Journal of Molecular Modeling |d Springer Berlin Heidelberg |g 21/5(2015-05-01), 1-5 |x 1610-2940 |q 21:5<1 |1 2015 |2 21 |o 894 | ||