Nuclear Scalar Spin−Spin Couplings and Geometries of Hydrogen Bonds

Autor:	Vladimir G. Malkin, Hans Benedict, Gleb S. Denisov, Ilja G. Shenderovich, Olga L. Malkina, Hans-Heinrich Limbach, Nikolai S. Golubev,†,‖ and
Rok vydání:	2000
Předmět:	Colloid and Surface Chemistry Scalar coupling Computational chemistry Chemistry Ab initio quantum chemistry methods Hydrogen bond Scalar (mathematics) General Chemistry Spin (physics) Biochemistry Molecular physics Catalysis Ion
Zdroj:	Journal of the American Chemical Society. 122:1979-1988
ISSN:	1520-5126 0002-7863
DOI:	10.1021/ja9907461
Popis:	Ab initio calculations of the scalar coupling constants 1J15N-1H ≡ JNH and 2J15N···15N ≡ JNN of the N−H···N hydrogen bonds in the anion [C⋮15N···L···15N⋮C]- (1), L = H, D, and of the cyclic hydroge...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::8700999758b0074c15f9c0bc6693baff https://doi.org/10.1021/ja9907461 Zobrazit plný text záznamu