An accurate evaluation of activation barriers for hydrogen abstraction reactions with Becke's 88 density functional theory and high-level G1 and G2 ab initio methods.

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作者
Jursic, BS [1 ]
机构
[1] UNIV NEW ORLEANS,DEPT CHEM,NEW ORLEANS,LA 70148
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中图分类号
O6 [化学];
学科分类号
0703 ;
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页码:223 / COMP
页数:1
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