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Keyword [Combined QM/MM]
Result: 1 - 5 | Page: 1 of 1
1.
Density Functional Calculations On Selected Bio-Related Systems
2.
Develop Quantum Vibrational Perturbation Method And Apply It To HCl-H
2
O Clusters And Acetone-Water Solution
3.
Understanding the catalytic mechanism of haloalkane dehalogenase: A combined QM/MM study
4.
Towards more realistic molecular modeling of catalysis with density functional theory: Combined QM/MM and ab initio molecular dynamics methods
5.
Application Of Combined QM/MM Method In Elucidating Solvent Effects Of Decarboxylation Reaction And Mechanism Of Disulfide Bond Exchange Reaction In Aqueous And Protein Environment
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