Search

Your search keyword '"Aloysus K. Lawong"' showing total 1 results
Start Over Author "Aloysus K. Lawong" Publisher elsevier bv
1 results on '"Aloysus K. Lawong"'

1. Highly nitrated cyclopropanes as new high energy materials: DFT calculations on the properties of C3H6−n(NO2)n (n=3–6)

Author

Aloysus K. Lawong and David W. Ball

Subjects
High energy, Chemistry, Enthalpy, Condensed Matter Physics, Biochemistry, Decomposition, Cyclopropane, chemistry.chemical_compound, Computational chemistry, Nitro, Molecule, Physical and Theoretical Chemistry, Energy (signal processing), Stationary state
Abstract

As part of a continuing study of new potential high energy materials, here we present results of calculations on cyclopropane molecules with three or more nitro groups. DFT calculations suggest that all molecules can exist as minimum-energy stationary states. Energy calculations indicate that some nitrocyclopropanes have a specific enthalpy of decomposition in excess of 8 kJ g −1 , suggesting that they be explored as new potential high energy materials.

Published
2009
Full Text
View/download PDF

Catalog

Books, media, physical & digital resources
See catalog results