Free energies of binding from large-scale density functional theory

被引:0
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作者
Skylaris, Chris-Kriton
Fox, Stephen
Pittock, Chris
Essex, Jonathan W.
Fox, Thomas
Tautermann, Christofer
Malcolm, Noj
机构
[1] Univ Southampton, Southampton, Hants, England
[2] Boehringer Ingelheim GmbH & Co KG, Lead Identificat & Optimizat, Ingelheim, Germany
[3] Accelrys Ltd, Cambridge, England
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中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
50-COMP
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页数:1
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