ESTIMATION OF ACTIVATION-ENERGIES OF THERMAL-DECOMPOSITION OF NITRO-COMPOUNDS BASED ON STRUCTURAL DESCRIPTORS

Authors
KUMSKOV MI PESHKOVA SE PONOMAREVA LA REZCHIKOVA KI
Citation
Mi. Kumskov et al., ESTIMATION OF ACTIVATION-ENERGIES OF THERMAL-DECOMPOSITION OF NITRO-COMPOUNDS BASED ON STRUCTURAL DESCRIPTORS, Russian chemical bulletin, 45(8), 1996, pp. 1840-1843
Citations number
21
Categorie Soggetti
Chemistry
Journal title
Russian chemical bulletin → ACNP
ISSN journal
10665285
Volume
45
Issue
8
Year of publication
1996
Pages
1840 - 1843
Database
ISI
SICI code
1066-5285(1996)45:8<1840:EOAOTO>2.0.ZU;2-T
Abstract
The structure-property correlation equations for the activation energi es of thermal decomposition of nitro compounds in the gaseous phase we re obtained based on structural descriptors. The equations were constr ucted using the BIBIGON computing program system for the data base, wh ich consists of 90 nitro compounds belonging to various chemical class es; the correlation coefficient R is 0.986.