Complete basis set prediction of methanol isotropic nuclear magnetic shieldings and indirect nuclear spin-spin coupling constants (SSCC) using polarization-consistent and XZP basis sets and B3LYP and BHandH density functionals-Reference-Cited by-同舟云学术

Complete basis set prediction of methanol isotropic nuclear magnetic shieldings and indirect nuclear spin-spin coupling constants (SSCC) using polarization-consistent and XZP basis sets and B3LYP and BHandH density functionals

Published:2009-05-08 Issue:8 Volume:47 Page:674-683
ISSN:0749-1581
Container-title:Magnetic Resonance in Chemistry
language:en
Short-container-title:Magn. Reson. Chem.

Author:

Kupka Teobald

Funder

Department of Chemistry, University of Opole

Publisher

Wiley

Subject

General Materials Science,General Chemistry

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/mrc.2448/fullpdf

Reference75 articles.

1. Medium Effects in Proton Magnetic Resonance. I. Gases

2. Gas-phase NMR spectroscopy

3. Multinuclear NMR spectroscopy in the gas phase

4. Gas–Phase Studies of Spin–Spin Coupling Constants

5. Indirect spin–spin coupling constants in CH4, SiH4 and GeH4 – Gas-phase NMR experiment and ab initio calculations

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