A theoretical study on nitrourea and its tautomers

Date

2008-01-01

Author

Türker, Burhan Lemi
Gumus, Selcuk
Atalar, Taner
Atlanel, Sencer

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In the present study, nitrourea and its possible tautomers have been subjected to theoretical analysis by performing Hartree-Fock and also density functional theory (DFT) calculations. The optimized geometries, vibrational frequencies, and some thermodynamical values for the presently considered species have been obtained in their ground states.

Subject Keywords

Physics and Astronomy (miscellaneous)

URI

https://hdl.handle.net/11511/56862

Journal

JOURNAL OF ENERGETIC MATERIALS

DOI

https://doi.org/10.1080/07370650801922419

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker, S. Gumus, T. Atalar, and S. Atlanel, “A theoretical study on nitrourea and its tautomers,” JOURNAL OF ENERGETIC MATERIALS, pp. 181–195, 2008, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56862.