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Keyword [molecular mechanics]
Result: 41 - 60 | Page: 3 of 5
41. Structural Predictions And Properties Of Clusters By Quantum/Molecular Mechanics
42. Coarse Grained Molecular Mechanics/Molecular Dynamics Force Field For Hydrocarbon In Petroleum Chemistry
43. Quantum Chemical Study Of AlnS2±Clusters And Molecular Mechanics Parameters Calculation Of Phosphotungstic Acid
44. Decoding Structural Complexity In Fishbone-type Carbon Nanofibers:a Molecular Mechanics Study
45. Insights Into The Epimerization Activities Of AGE Family: The Quantum Mechanics/molecular Mechanics Simulations
46. Theoretical Study On Structure And Corrosion Inhibition Performance Of Imidazoline Corrosion Inhibitor
47. Simulation Research Of Chiral Molecular Self-assembly On Surface Driven By Hydrogen-bond In BIC/HA System
48. Multi-level Quantum Mechanics And Molecular Mechanics Study Of The Reaction Of NH2Cl+OH- And The Reaction Of 8-OHGrad In Aqueous Solution
49. Studies Of The Catalytic Mechanisms Of Methyltransferase, Peptidylarginine Deiminase And Acetolactate Decarboxylase
50. Water-induced Transition State Of The OH-+CO2 Reaction In Aqueous Solution With Multi-Level QM/MM Method
51. The Relationship Between Molecular Structure Of Heavy Oil Composition And Viscosity-temperature Property
52. Analysis Of The Mechanical Properties Of Znt Using Molecular Mechanics And Fem
53. Study On Chiral Recognition Mechanism Of Polysaccharide Derivatives Based On Molecular Simulation
54. Molecular Simulation Of The Adsorption Behavior Of Shale Gas In Clay
55. Molecular Mechanics Modelling And Physical Mechanical Properties Study In Low-dimensional Nanomaterials
56. Characterizing The Structures And Spectra Of Chromophores In Condensed Phase By Means Of Multiscale Models
57. The Effect Of Mutations On The Interactions Of Four Proteins With Ligands Studied By Molecular Dynamics Simulations
58. Theoretical Studies On The Catalytic Mechanisms Of Several Non-heme Oxidases
59. Insights Into The Catalytic Mechanism Of Acetate CoA-transferase By QM/MM Calculation
60. Mechanical Properties Of Single-Layer Molybdenum Disulfide Based On The Computational Methods At Molecular Scale
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