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Keyword [Quantum mechanical]
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1. Quantum Mechanical Investigation Of Electronic Properties In Lindqvist-type Polyoxometalate Derivatives: Inorganic-Organic Hybrid Functional Materials
2. Quantum Mechanical Studies In Biological Systems And Protein Folding
3. The Study Of Conductive Mechenicism And Performance In Carbon & Copper Oil
4. Molecular Simulation Study Of Gases Adsorption And Separation In Metal-Organic Frameworks
5. Two Types Of Novel Structures Synthesis And Properties Of Organic Boron Difluoride Complexes
6. Synthesis, Performance And Theory Of The Novel ¦Â-enol Imine-type Organic Boron Difluoride Complex Computing Research
7. The Mechanical Properties Of Natural Cellulose At The Single Molecule Level
8. Theoretical Study On The Optical Properties Of A Few Of Organic Functional Materials
9. Theoretical Study On The Catalytic Mechanism Of Acetolactate Decarboxylase By QM/MM
10. The Dynamics Of Some Collisional Reactions Related To Small Molecules Containing Carbon Or Sulfur
11. Microscopic Nanostructure In ILs And IL-ethanol Mixtures:a Theoretical Study
12. Experimental Study On High-value Carbon Materials Manufactured From Liquid Hydrocarbon Based On Radio Frequency Inductively Coupled Plasma(ICP)
13. Research On Polymorphic Molecular Stability Based On Quantum Mechanical Fragmentation Method
14. Design Of Novel Inhibitors Based On Protoporphyrinogen Oxidase
15. Predicted Interaction Energy Between Organic Molecule And Water Or Organic Molecule And Ion By Deep Tensor Neural Network
16. Quantum mechanical analysis of donor-acceptor interactions in organometallic complexes and comparative analysis of class size and teacher experience on student experience satisfaction and learning
17. From small to big: Understanding noncovalent interactions in chemical systems from quantum mechanical models
18. Comprehensive study of the chemical reactions resulting from the decomposition of chloroform in alkaline aqueous solution
19. Effects of ammonia on the hydrolysis reactions of nitrogen dioxide and sulfur dioxide in the atmosphere: A quantum mechanical study
20. Simulations of enzymes with molecular dynamics and quantum mechanical/molecular mechanical methods
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