An ab initio study of the dioxygen binding site of hemocyanin: A comparison between CASSCF, CASPT2, and DFT approaches

• 作者Fernando Bernardi; Andrea Bottoni; Rita Casadio; Piero Fariselli; Adelio Rigo
• 卷第58卷
• 期第1期
• 印刷ISSN0020-7608
• 电子ISSN1097-461X
• 文件大小931.21KB
• 发表时间1996
• DOI10.1002/(sici)1097-461x(1996)58:1<109::aid-qua10>3.0.co;2-2
• 页码109-119