Lv61
1620 积分 2023-11-26 加入
What Dictates the α-Effect in Gas-Phase SN2 Reactions? A Density Functional Theory Study
8小时前
已完结
Understanding covalency in molecular f-block compounds from the synergy of spectroscopy and quantum chemistry
2天前
已完结
Computational Investigation of the Chemical Bond between An(III) Ions and Soft-Donor Ligands
3天前
已完结
Actinide 5f Occupations: The Case of PuO2
3天前
已完结
Oxidative Addition of E−H (E=C, N) Bonds to Transient Uranium(II) Centers
11天前
已完结
Spin effect on redox acceleration and regioselectivity in Fe-catalyzed alkyne hydrosilylation
11天前
已完结
Electronic Structure and Reactivity of Mononuclear Nonheme Iron–Peroxo Complexes as a Biomimetic Model of Rieske Oxygenases: Ring Size Effects of Macrocyclic Ligands
1个月前
已完结
Biodegradation of 2,5-Dihydroxypyridine by 2,5-Dihydroxypyridine Dioxygenase and Its Mutants: Insights into O–O Bond Activation and Flexible Reaction Mechanisms from QM/MM Simulations
1个月前
已完结
Critical Roles of Exchange and Superexchange Interactions in Dictating Electron Transfer and Reactivity in Metalloenzymes
1个月前
已完结
O–O Bond Formation and Oxygen Release in Photosystem II Are Enhanced by Spin-Exchange and Synergetic Coordination Interactions
1个月前
已完结
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