The effect of lone pairs and electronegativity on the indirect nuclear spin-spin coupling constants in CH2X (X=CH2, NH, O, S): Ab initio calculations using optimized contracted basis sets

Patricio F. Provasi; Gustavo A. Aucar; Stephan P. A. Sauer

doi:10.1063/1.1379331

The effect of lone pairs and electronegativity on the indirect nuclear spin-spin coupling constants in CH₂X (X=CH₂, NH, O, S): Ab initio calculations using optimized contracted basis sets

Patricio F. Provasi, Gustavo A. Aucar, Stephan P. A. Sauer

Kemisk Institut

228 Citationer (Scopus)

Abstract

Udgivelsesdato: 15 July 2001

Originalsprog	Engelsk
Tidsskrift	Journal of Chemical Physics
Vol/bind	115
Udgave nummer	3
Sider (fra-til)	1324-1334
ISSN	0021-9606
DOI	https://doi.org/10.1063/1.1379331
Status	Udgivet - 2001

Adgang til dokumentet

10.1063/1.1379331

http://link.aip.org/link/?JCPSA6/115/1324/1

Citationsformater

The effect of lone pairs and electronegativity on the indirect nuclear spin-spin coupling constants in CH₂X (X=CH₂, NH, O, S): Ab initio calculations using optimized contracted basis sets. / Provasi, Patricio F.; Aucar, Gustavo A.; Sauer, Stephan P. A.

I: Journal of Chemical Physics, Bind 115, Nr. 3, 2001, s. 1324-1334.

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

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AU - Sauer, Stephan P. A.

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