Modeling of the Response of Hydrogen Bond Properties on an External Electric Field: Geometry, NMR Chemical Shift, Spin-Spin Scalar Coupling

URN to cite this document:: urn:nbn:de:bvb:355-epub-517826
DOI to cite this document:: 10.5283/epub.51782

Shenderovich, Ilya G.

; Denisov, Gleb S.

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Date of publication of this fulltext: 21 Feb 2022 11:32

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Abstract

The response of the geometric and NMR properties of molecular systems to an external electric field has been studied theoretically in a wide field range. It has been shown that this adduct under field approach can be used to model the geometric and spectral changes experienced by molecular systems in polar media if the system in question has one and only one bond, the polarizability of which ...