The prediction of nuclear quadrupole moments from ab initio quantum chemical studies on small molecules. I. The electric field gradients at the 14N and 2H nuclei in N2, NO, NO+, CN, CN−, HCN, HNC, and NH3-Reference-Cited by-同舟云学术

The prediction of nuclear quadrupole moments from ab initio quantum chemical studies on small molecules. I. The electric field gradients at the 14N and 2H nuclei in N2, NO, NO+, CN, CN−, HCN, HNC, and NH3

Published:1987-06-15 Issue:12 Volume:86 Page:6908-6917
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Cummins Peter L.,Bacskay George B.,Hush Noel S.,Ahlrichs Reinhart

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.452390

Reference62 articles.

1. Nuclear quadrupole moment of lithium from combined fully numerical and discrete basis-set calculations on LiH

2. Hyperfine structure ofN14ii2p3pP11after ion-beam surface interaction at grazing incidence

3. Forces in Molecules

4. Legitimate calculation of first-order molecular properties in the case of limited CI functions. Dipole moments

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