Comparison of different approaches for the description of frontier bonds in hybrid QM/MM methods

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作者
Reuter, N
Dejaegere, A
Maigret, B
Karplus, M
机构
[1] UHP Nancy 1, Fac Sci, Chim Theor Lab, F-54506 Vandoeuvre Nancy, France
[2] ESBS, UPR 9003, Grp RMN, F-67400 Strasbourg, France
[3] ULP, Lab Chim Biophys, Inst Le Bel, F-67000 Strasbourg, France
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Q5 [生物化学];
学科分类号
071010 ; 081704 ;
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页码:278 / 279
页数:2
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