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On the innocence of bipyridine ligands:How well do DFT functionals fare for these challenging spin s
[会议论文] 作者：M.A.Iron,P.Milko,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
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On the innocence of bipyridine ligands:How well do DFT functionals fare for these challenging spin s
[会议论文] 作者：M.A.Iron,P.Milko,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
The electronic structures of a number of iron,cobalt,vanadium,and titanium complexes with the 2,2′-bipyridine(bpy) ligand were considered using the multireference CASSCF and NEVPT2 methods....
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