Ab initio calculation of atomic contributions to the magnetic susceptibility by continuous transformation of the origin of the current density in HF, H2O, NH3, and CH4 molecules-Reference-Cited by-同舟云学术

Ab initio calculation of atomic contributions to the magnetic susceptibility by continuous transformation of the origin of the current density in HF, H2O, NH3, and CH4 molecules

Published:1999-06-08 Issue:22 Volume:110 Page:10706-10714
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Ferraro M. B.,Caputo M. C.

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.478040

Reference42 articles.

1. Perturbed Hartree—Fock Calculations. I. Magnetic Susceptibility and Shielding in the LiH Molecule

2. Perturbed Hartree–Fock calculations: Electric and magnetic properties of water in static fields

3. Perturbed Hartree–Fock calculations: Electric and magnetic properties of water in static fields

4. Theory of magnetic susceptibilities and NMR chemical shifts in terms of localized quantities. 3. Application to hydrocarbons and other organic molecules

5. Theory of magnetic susceptibilities and N.M.R. chemical shifts in terms of localized quantities

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