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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.
Reports in Theoretical Chemistry
ISSN: 2230-410X
- View all (6)
- Volume 4, 2016 (1)
- Volume 3, 2015 (2)
- Volume 2, 2013 (1)
- Volume 1, 2012 (2)
Journal Articles:
- 6 records -
Does ethylene gas collapse on polymerization to polyethylene?
Satheesh N, Padmanabhan AS
Reports in Theoretical Chemistry 2016, 4:1-9
Published Date: 18 March 2016
N-heterocyclic carbone: computational prediction of a divalent carbon (0) compound
Guha AK
Reports in Theoretical Chemistry 2015, 3:7-11
Published Date: 14 October 2015
Switching of carbene spin states: effect of hydrogen bond donors
Guha AK, Boruah A, Hazarika M, Kaman S
Reports in Theoretical Chemistry 2015, 3:1-6
Published Date: 20 July 2015
Evaluating the performance of DFT methods in electric property calculations: sodium chloride as a test case
Maroulis G
Reports in Theoretical Chemistry 2013, 2:1-8
Published Date: 11 July 2013
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
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