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., & 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

Laihia, Katri
Kolehmainen, Erkki
Suontamo, Reijo
Nissinen, Maija
Valkonen, Arto

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

Publication open access: Not open

Publication channel open access:

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)