Electronic Structure of Trigonal-Planar Transition-Metal−Imido Complexes: Spin-State Energetics, Spin-Density Profiles, and the Remarkable Performance of the OLYP Functional †
- 期刊名称Journal of Chemical Theory and Computation
- 作者Conradie, Jeanet; Ghosh, Abhik
- 卷第3卷
- 期第3期
- 印刷ISSN1549-9618
- 电子ISSN1549-9626
- 文件大小818.81KB
- 发表时间2007-05
- DOI10.1021/ct600337j
- 页码689-702
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