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Reports in Theoretical Chemistry ceased publishing in July 2016. All articles that have been published in Reports in Theoretical Chemistry will continue to be available on the Dove Press site, and will be securely archived with CLOCKSS.

ISSN: 2230-410X


       

Archive: Volume 1, 2012

Original Research

Ab initio calculation of ionization potential and electron affinity of six common explosive compounds

Cooper JK, Grant CD, Zhang JZ

Reports in Theoretical Chemistry 2012, 1:11-19

Published Date: 13 November 2012

Review

Relative stabilities of two difluorodiazene isomers: density functional and molecular orbital studies

Jana J

Reports in Theoretical Chemistry 2012, 1:1-10

Published Date: 8 June 2012