A Theoretical Determination of the Low-lying Electronic States of the p-Benzosemiquinone Radical Anion
A Theoretical Determination of the Low-lying Electronic States of the p-Benzosemiquinone Radical Anion
复制标题
对苯并半醌自由基阴离子低位电子态的理论测定
DOI:
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发表时间:
2000
期刊:
影响因子:
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通讯作者:
N. Forsberg
中科院分区:
文献类型:
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作者:
R. Pou;L. Serrano;M. Merchán;and Enrique Ortí;N. Forsberg
The low-lying electronic states of the p-benzosemiquinone radical anion are studied using multiconfigurational second-order perturbation theory (CASPT2) and extended atomic natural orbital (ANO) ba...