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Keyword [density functional method]
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1. Tantalum Silicon Mixed Clusters And Pure Iridium Clusters Geometry And Electronic Structure Of The Nature Of Theoretical Research
2. The Studies Of Molecular Structure And Potential Energy Function For Molecules And Ions
3. Research On The Excited State Properties Of Organic Conjugated Macromolecule
4. The Studies Of Molecular Structure And Potential Energy Function For LiO2,Li2O
5. Pu-n Pu-oh System, The Molecular Structure And Potential Functions
6. Geometric And Electronic Structure Of The Ytterbium Silicon Mixed Clusters Of The Nature And Optical Nature Of The Study
7. Yttrium, Gallium-doped Silicon Clusters Density Functional Theory Study
8. Magnetization Distribution And Electronic Transport Of Several Systems With Noncollinear Magnetism
9. Different Conjugated Molecules:PC70BM Research On Charge Transfer Mechanism Under External Electric Field
10. Applications Of K-means Clustering And Random Forest For Charge Predictions Of Multi-spin-state Force Fields Of The Heme-model
11. Determination Of Structure Parameters In Atomic Ionization Model By Density Functional Method
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