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Zeitschrift für Naturforschung A

A Journal of Physical Sciences

Editor-in-Chief: Holthaus, Martin

Editorial Board: Fetecau, Corina / Kiefer, Claus


IMPACT FACTOR 2016: 1.432

CiteScore 2017: 1.30

SCImago Journal Rank (SJR) 2017: 0.403
Source Normalized Impact per Paper (SNIP) 2017: 0.632

Online
ISSN
1865-7109
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Volume 31, Issue 12

Issues

Calculation of Magnetic Shielding and Susceptibility of H2O and FOH with Gauge Invariant Gaussian Basis Set

Matjaz Žaucer / Danilo Pumpernik / Milan Hladnik / Andrej Ažman
Published Online: 2014-06-02 | DOI: https://doi.org/10.1515/zna-1976-1244

Abstract

Susceptibility and magnetic shieldings of all nuclei are calculated for water and hypofluorous acid. A finite perturbation SCF method with gauge invariant gaussian basis set is used. Results calculated with a slightly extended basis set agree well with experimental values.

About the article

Received: 1976-11-03

Published Online: 2014-06-02

Published in Print: 1976-12-01


Citation Information: Zeitschrift für Naturforschung A, Volume 31, Issue 12, Pages 1727–1728, ISSN (Online) 1865-7109, ISSN (Print) 0932-0784, DOI: https://doi.org/10.1515/zna-1976-1244.

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© 1946 – 2014: Verlag der Zeitschrift für Naturforschung. This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License. BY-NC-ND 3.0

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[1]
Andrzej J. Sadlej, Matjaž Žaucer, and Andrej Ažman
Molecular Physics, 1978, Volume 35, Number 5, Page 1397

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