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

Department of Chemistry

228 Citations (Scopus)

Abstract

Udgivelsesdato: 15 July 2001

Original language	English
Journal	Journal of Chemical Physics
Volume	115
Issue number	3
Pages (from-to)	1324-1334
ISSN	0021-9606
DOIs	https://doi.org/10.1063/1.1379331
Publication status	Published - 2001

Access to Document

10.1063/1.1379331

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

Cite this

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.

In: Journal of Chemical Physics, Vol. 115, No. 3, 2001, p. 1324-1334.

Research output: Contribution to journal › Journal article › Research › peer-review

@article{f7148ca074c511dbbee902004c4f4f50,

title = "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",

abstract = "Udgivelsesdato: 15 July 2001",

author = "Provasi, {Patricio F.} and Aucar, {Gustavo A.} and Sauer, {Stephan P. A.}",

year = "2001",

doi = "10.1063/1.1379331",

language = "English",

volume = "115",

pages = "1324--1334",

journal = "The Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "3",

}

TY - JOUR

T1 - 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

AU - Provasi, Patricio F.

AU - Aucar, Gustavo A.

AU - Sauer, Stephan P. A.

PY - 2001

Y1 - 2001

N2 - Udgivelsesdato: 15 July 2001

AB - Udgivelsesdato: 15 July 2001

U2 - 10.1063/1.1379331

DO - 10.1063/1.1379331

M3 - Journal article

SN - 0021-9606

VL - 115

SP - 1324

EP - 1334

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

IS - 3

ER -