Possibility of cyclic transition states of nitroglycerine

Date

2004-07-26

Author

Türker, Burhan Lemi

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The possibility of six-membered cyclic transition states involving the oxygen atom of a nitro group of nitroglycerine molecule and the hydrogen atom at the a-position to the nitro group considered is investigated quantum chemically by using AMI (UHF) type semiempirical calculations. The results indicate that such kind of structures are stable and exothermic in nature.

Subject Keywords

Physical and Theoretical Chemistry, Biochemistry, Condensed Matter Physics

URI

https://hdl.handle.net/11511/62275

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/j.theochem.2004.03.037

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker, “Possibility of cyclic transition states of nitroglycerine,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 15–19, 2004, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62275.