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Indian Journal of Chemistry -Section A (IJC-A) >
IJC-A Vol.50A [2011] >
IJC-A Vol.50A(02) [February 2011] >
| Title: | A novel molecular descriptor, TG index, for calculating the detonation properties of explosives |
| Authors: | Türker, Lemi
Gümüş, Selçuk |
| Keywords: | Theoretical chemistry
Graph theory
Molecular descriptors
TG index
Detonation parameters
Explosives |
| Issue Date: | Feb-2011 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | A novel molecular descriptor index, viz., TG index,
has been defined for modeling and estimation of detonation parameters of
explosives. The index is simple to calculate, unique for each molecule and is
applicable to the heteroatom containing species. The results of the correlation
analyses of the TG index with the explosion data indicate that the TG index can
be a very successful tool for prediction of the detonation parameters of
explosives, within the limit of very small percent errors. |
| Page(s): | 141-148 |
| CC License: |  CC Attribution-Noncommercial-No Derivative Works 2.5 India |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Source: | IJC-A Vol.50A(02) [February 2011]
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