Theoretical study of spin-spin coupling across the hydrogen (O-H⋯N) bond in adenosine derivatives

M. Doskocz; A. Strupinska; S. Roszak; M. Prokopowicz; P. Kafarski

doi:10.1007/s00894-009-0473-6

Theoretical study of spin-spin coupling across the hydrogen (O-H⋯N) bond in adenosine derivatives

M. Doskocz, A. Strupinska, S. Roszak, M. Prokopowicz, P. Kafarski

Onderzoeksoutput: Bijdrage aan tijdschrift › Tijdschriftartikel › Academic › peer review

2 Citaten (Scopus)

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The study of spin-spin coupling constants across hydrogen bond provides useful information about configuration of complexes. The interesting case of such interactions was observed as a coupling across an intramolecular hydrogen bond in 8-bromo-2',3'-O -isopropylideneadenosine between the -CH2OH (at 5¿ proton) group and the nitrogen atom of adenine. In this paper we report theoretical investigations on the 4hJNH coupling across the H¿-C-O-H¿N hydrogen bond in adenosine derivatives in various solvent models. © springer-Verlag 2009.

Originele taal-2	Engels
Pagina's (van-tot)	651-658
Tijdschrift	Journal of Molecular Modeling
Volume	15
Nummer van het tijdschrift	6
DOI's	https://doi.org/10.1007/s00894-009-0473-6
Status	Gepubliceerd - 2009
Extern gepubliceerd	Ja

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abstract = "The study of spin-spin coupling constants across hydrogen bond provides useful information about configuration of complexes. The interesting case of such interactions was observed as a coupling across an intramolecular hydrogen bond in 8-bromo-2',3'-O -isopropylideneadenosine between the -CH2OH (at 5¿ proton) group and the nitrogen atom of adenine. In this paper we report theoretical investigations on the 4hJNH coupling across the H¿-C-O-H¿N hydrogen bond in adenosine derivatives in various solvent models. {\textcopyright} springer-Verlag 2009.",

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AU - Strupinska, A.

AU - Roszak, S.

AU - Prokopowicz, M.

AU - Kafarski, P.

PY - 2009

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AB - The study of spin-spin coupling constants across hydrogen bond provides useful information about configuration of complexes. The interesting case of such interactions was observed as a coupling across an intramolecular hydrogen bond in 8-bromo-2',3'-O -isopropylideneadenosine between the -CH2OH (at 5¿ proton) group and the nitrogen atom of adenine. In this paper we report theoretical investigations on the 4hJNH coupling across the H¿-C-O-H¿N hydrogen bond in adenosine derivatives in various solvent models. © springer-Verlag 2009.

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DO - 10.1007/s00894-009-0473-6

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ER -

Theoretical study of spin-spin coupling across the hydrogen (O-H⋯N) bond in adenosine derivatives

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