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Keyword [Crystal structure prediction]
Result: 21 - 32 | Page: 2 of 2
21.
Theoretical Study And Design For P-type To N-type Or Ambipolar Transition Of Organic Semiconductor Materials
22.
First-principles Calculation Of Two-dimensional Titanium Boride-based Ion-battery Anode Materials
23.
Design,Synthesis And Properties Of Organic Mechanochromic Molecules Based On Conjugated Structure
24.
Theoretical Prediction And Physical Properties Of Alkaline-earth Metal Borosilicide Compounds Under High Pressure
25.
Theoretical Study On The Crystal Structures And Physicochemical Properties Of Novel Two-Dimentional MB
7
（M=Co,Fe） Materials
26.
First-principles Study Of Alkali Metal Borosilicide Compounds Under High Pressure
27.
Research On New Metal Alloy Materials
28.
Machine Learning Accelerates The Design Of New Functional Carbon Crystal Structures
29.
Parameterization And Crystal Structure Prediction Of The Polarizable Force Field Of RDX And CL-20 Energetic Molecules
30.
Novel Two-Dimensional Photocatalysts For Water Splitting:Theoretical Design And Characterisation
31.
Atomic-scale Study Of Structure Prediction And Phase Transition Of Several Intermetallic Compounds And Metal Oxides
32.
Crystal Structure Prediction Based On Generative Adversarial Networks
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