Hexahydro-1,3,5-trinitro-1,3,5-triazine-embedded cyclophanes

Date

2000-09-18

Author

Türker, Burhan Lemi

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Semiempirical molecular orbital calculations at the level of AM1 type were performed on hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and certain RDX-embedded cyclophane derivatives. It has been found that through-space interaction between the RDX and phane moieties play an important role in the various molecular orbital properties of the systems considered.

Subject Keywords

RDX, Cyclonite, Hexahydro-1,3,5-trinitro-1,3,5-triazine, Cyclophane, Explosives, AM 1 calculations

URI

https://hdl.handle.net/11511/62361

Journal

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

DOI

https://doi.org/10.1016/s0166-1280(00)00320-1

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker, “Hexahydro-1,3,5-trinitro-1,3,5-triazine-embedded cyclophanes,” JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, pp. 131–136, 2000, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/62361.