A1 Journal article (refereed)
1H,13C NMR spectral and single crystal structural studies of toxaphene congenrs. Quantum chemical calculations for preferred conformers of 2,5-endo,6-exo,8,9,10,10-octachloro-2-bornene and their DFT/GIAO 13C chemical shifts (2005)


Laihia, K., Valkonen, A., Kolehmainen, E., Suontamo, R., Nissinen, M., Nikiforov, V. A., & Selivanov, S. (2005). 1H,13C NMR spectral and single crystal structural studies of toxaphene congenrs. Quantum chemical calculations for preferred conformers of 2,5-endo,6-exo,8,9,10,10-octachloro-2-bornene and their DFT/GIAO 13C chemical shifts. Journal of Molecular Structure, 754, 77-84.


JYU authors or editors


Publication details

All authors or editors: Laihia, Katri; Valkonen, Arto; Kolehmainen, Erkki; Suontamo, Reijo; Nissinen, Maija; Nikiforov, V.A.; Selivanov, S.

Journal or series: Journal of Molecular Structure

Publication year: 2005

Volume: 754

Pages range: 77-84

Publication country: United Kingdom

Publication language: English

Open Access: Publication channel is not openly available


Keywords: quantum chemistry

Free keywords: NMR; röntgendiffraktio; toksafeeni; konformaatio; DFT/GIAO

Fields of science:


Contributing organizations


Ministry reporting: Yes

Preliminary JUFO rating: Not rated


Last updated on 2020-12-10 at 22:06