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Large Molecules - Small Energies: Challenges for Contemporary Quantum Chemistry

  作者 SCHWABE TOBIAS; HUENERBEIN ROBERT; GRIMME STEFAN  
  选自 期刊  SYNLETT;  卷期  2010年-10;  页码  1431-1441  
  关联知识点  
 

[摘要]New developments in computational chemistry which allow an accurate treatment of large molecules are presented. Along with a short introduction to the theoretical methods, highlights of current applications in organic chemistry are given. The so-called 'chemical accuracy' is now often achievable when modern methods and sophisticated techniques are applied.

 
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