New Investigations of Geometric, Electronic, and Spectroscopic Properties of Tetrapyrrolic Macrocycles by a TD−DFT Approach. Carbon, Nitrogen, and Chalcogen (O, S, Se) Peripheral Substitution Effects on Ni(II) Porphyrazinato Complexes
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Infante, Ivan; Lelj, Francesco
- 期刊名称Journal of Chemical Theory and Computation
- 作者Infante, Ivan; Lelj, Francesco
- 卷第3卷
- 期第3期
- 印刷ISSN1549-9618
- 电子ISSN1549-9626
- 文件大小398.73KB
- 发表时间2007-05
- DOI10.1021/ct6003609
- 页码838-851