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:

Fields of science 2010

Contributing organizations

JYU units:

Department of Chemistry

Ministry reporting: Yes

Preliminary JUFO rating: Not rated

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)

JYU authors or editors

Publication details

Contributing organizations

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)