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- W2376253156 abstract "The ab initio quantum chemistry calculation was performed to the active site of reduced ironcontaining superoxide dismutase by using G94 program at the level of HF/LANL2DZ. The information of the molecular orbital energy, net charge distribution and atomic orbital contribution to frontier molecular orbits was obtained. The results show that the active site is susceptible to accepting the attack of superoxide radical and then complete the physiological function." @default.
- W2376253156 created "2016-06-24" @default.
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- W2376253156 date "2003-01-01" @default.
- W2376253156 modified "2023-09-25" @default.
- W2376253156 title "Quantum Calculation on the Active Site of Reduced Fe-containing Superoxide Dismutase" @default.
- W2376253156 hasPublicationYear "2003" @default.
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