Ab initio calculations of zero-field splitting parameters in linear polyacenes
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference49 articles.
1. Magnetic Molecules in Matrixes
2. Ab initio evaluation of the fine structure of the oxygen molecule
3. Spin‐Orbit Contribution to the Zero‐Field Splitting of the Oxygen Molecule
4. Comment on the Spin‐Orbit Contribution to the Zero‐Field Splitting of the Oxygen Molecule
5. AB initio calculation of the zero-field splittings of the X3Σg− and B3Πg,i states of the S2 molecule
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