Ammm:QM/MM: Revision history

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10 May 2022

  • curprev 15:5215:52, 10 May 2022 Admin talk contribs 7,237 bytes +7,237 Created page with "= Introduction<br> = == What is QM/MM?<br> == *Hybrid method that QM (Quantum mechanics) and MM (molecular mechanics) calculation schemes *The system is divided into two regions **QM and MM regions **Regions are designed based on compromise in calculation time and accuracy == Why use QM/MM?<br> == *The system is too large to use ''ab initio'' calculations<br> *MM calculations do not give the "correct" answer *Processes involving change in electronic structure..."
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