Near-Hartree-Fock calculation of the electric field gradients and their first and second derivatives with respect to the bond-length at the location of the deuterium nucleus-Reference-Cited by-同舟云学术

Near-Hartree-Fock calculation of the electric field gradients and their first and second derivatives with respect to the bond-length at the location of the deuterium nucleus

Published:1985-02-20 Issue:3 Volume:54 Page:725-732
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Huber Hanspeter,Diehl Peter

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

http://www.tandfonline.com/doi/pdf/10.1080/00268978500100571

Reference35 articles.

1. Approximate vibrational corrections for NMR spectral parameters of partially oriented molecules

2. Nuclear Quadrupole Coupling in Polyatomic Molecules

3. Interpretation of Nuclear Quadrupole Coupling in Nitrogen Containing Molecules with Ab Initio Molecular‐Orbital Wavefunctions

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