Multiconfigurational Perturbation Theory: An Efficient Tool to Predict Magnetic Coupling Parameters in Biradicals, Molecular Complexes, and Ionic Insulators
- 期刊名称The Journal of Physical Chemistry A
- 作者de Graaf, Coen; Sousa, Carmen; de P. R. Moreira, Ibério; Illas, Francesc
- 卷第105卷
- 期第50期
- 印刷ISSN1089-5639
- 电子ISSN1520-5215
- 文件大小124.85KB
- 发表时间2001-12
- DOI10.1021/jp013554c
- 页码11371-11378
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