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Keyword [QM/MM methods]
Result: 1 - 3 | Page: 1 of 1
1.
Theoretical Studies On The Mechanisms Of Several Important Enzymatic Reactions
2.
Long-range Electrostatic Interaction And Short-range Pauli Repulsion In Ab Initio QM/MM Methods
3.
Development and application of QM/MM methods to study the solvation effects and surfaces
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