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Keyword [quantum mechanics]
Result: 21 - 40 | Page: 2 of 4
21. Quantum Mechanics Study Of The Intermediates In Thermal Decomposition Of Nitromethane
22. The Application Of Molecular Dynamics In The Study Of Intermolecular Interactions
23. Quantum Mechanics Study Of The Transition State Of Response Acceleration And High-speed Reaction Period In Thermal Decomposition Of Nitromethane
24. Theoretical Studies On Selective Adsorption And Accumulation Behavior Of Self-assembled Monolayers
25. Insights Into The Epimerization Activities Of AGE Family: The Quantum Mechanics/molecular Mechanics Simulations
26. Chemisorption Of Single Polymer Chains On AFM Tips By Visible Light Triggeredclick Reaction
27. Study On The Molecular Simulation And Preparation Of Starch Biodegradable Materials
28. The Mechanism Of Hydration And Hydrophobic Improvement Of Montmorillonite In Aqueous Solutions:a Quantum Mechanics/Molecular Dynamics Simulation Study
29. The Investigation Of Interactions Between Ions And Several Typical Polymers By Single Molecule Force Spectroscopy
30. Study On Catalysis Mechanism Of Catechol Compounds By Extradiol And Intradiol Dioxygenases
31. Fundamental Research On The Formation Mechanism And Transformation Principle Of The Reactive Oxygen Species In Sub-molten Salt Media Using The Second-order Nonlinear Optical Spectroscopy And Molecular Simulation
32. Multi-level Quantum Mechanics And Molecular Mechanics Study Of The Reaction Of NH2Cl+OH- And The Reaction Of 8-OHGrad In Aqueous Solution
33. Studies Of The Catalytic Mechanisms Of Methyltransferase, Peptidylarginine Deiminase And Acetolactate Decarboxylase
34. Water-induced Transition State Of The OH-+CO2 Reaction In Aqueous Solution With Multi-Level QM/MM Method
35. Characterizing The Structures And Spectra Of Chromophores In Condensed Phase By Means Of Multiscale Models
36. Theoretical Studies Of Structure Design And Electronic Properties On Dirac Materials
37. Study On The Surface Hydration Characteristic And Mechanism Of Fine Illite Particles In Aqueous Solutions
38. Theoretical Studies On The Catalytic Mechanisms Of Several Non-heme Oxidases
39. Theoretical Study On The Coordination Selectivity Of Chiral Asymmetric Uranyl-salophen Complexes Based On Quantum Mechanics
40. Insights Into The Catalytic Mechanism Of Acetate CoA-transferase By QM/MM Calculation
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