Issue 23, 1993
From the journal:

Journal of the Chemical Society, Chemical Communications

Even more reliable NMR chemical shift computations by the GIAO-MP2 method

Paul von R. Schleyer,   Jürgen Gauss,   Michael Bühl,   Robert Greatrex  and  Mark A. Fox  

Abstract

Correlated ab initio(GIAO-MP2) chemical shift computations agree excellently with the newly remeasured 11B and 13C NMR values for the problem carboranes, 1 and 2, which had given poor IGLO results.

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Article information

DOI
https://doi.org/10.1039/C39930001766
Article type
Paper

J. Chem. Soc., Chem. Commun., 1993, 1766-1768

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Even more reliable NMR chemical shift computations by the GIAO-MP2 method

P. V. R. Schleyer, J. Gauss, M. Bühl, R. Greatrex and M. A. Fox, J. Chem. Soc., Chem. Commun., 1993, 1766 DOI: 10.1039/C39930001766

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