Electron spin resonance g tensors from general Hartree–Fock calculations
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.476193
Reference27 articles.
1. The calculation of spin-orbit splitting and g tensors for small molecules and radicals
2. Ab initio study of molecularg-tensors
3. Complete to second-orderab initio level calculations of electronicg-tensors
4. Ab initio calculations of electron-spin magnetic moments for Li, Be and B hydrides inX 2?+ states
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