Geometry optimization method based on approximate spin projection and its application to F2, CH2, CH2OO, and active site of urease

Geometry optimization method based on approximate spin projection and its application to F2, CH2, CH2OO, and active site of urease
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基于近似自旋投影的几何优化方法及其在F2、CH2、CH2OO和脲酶活性位点中的应用

DOI:
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发表时间:
2007
期刊:
Int. J. Quant Chem 107
影响因子:
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通讯作者:
Kitagawa
Kitagawa
中科院分区:
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文献类型:
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作者:
Y.;Kitagawa

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