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Keyword [Crystal structure prediction]
Result: 1 - 20 | Page: 1 of 2
1.
First-Principles Design Of Novel Superhard Be
3
N
2
2.
Molecular Simulation On The Formation Mechanism Of Co-crystal HMX/TATB And Morphology Of TATB
3.
Molecular Simulation On The Formation Mechanism Of Co-crystal Hmx/tatb And Morphology Of Tatb
4.
Theoretical Study On Crystal Structure Prediction Of Polymorph Drug
5.
Crystal Structure Prediction And High-pressure Behavior Of Light Complex Hydrides:a First-principle Study
6.
Design Of Insensitive High-energy Cocrystal Energetic Materials Based On Nitroguanidine
7.
Theoretical Study On Crystal Structure Prediction And Properties Of Lithium Oxide Li
3
O
2
8.
Prediction And Synthesis Of Novel Ti3
B
2
N Ternary Compound
9.
Theoretical Study On The Design And Transport Properties Of Heteroatom-substituted Fused-ring Benzene Materials
10.
Computational Discovery And Property Study Of Novel Hydrides And Nitrides
11.
High Pressure Crystal Structure Prediction:Stability,Electronic And Mechanical Properties Of Sc-N,Au-Hg And Sn-N
12.
Studies On Physical Properties Of Novel Carbon Allotropes And Carbides
13.
First-Principles Study The Related Process Of Surface Modification Of Anatase Titanium Dioxide
14.
The Application Of Convolutional Neural Networks In Density Functional Computation For Structural Prediction
15.
Studies On Novel Nitride Functional Materials
16.
Machine Learning Application In Thermoelectric Material
17.
Theoretical Study On Crystal Structure Search And Structural Evolution Of Li-Air Battery Discharge Product
18.
A Study On The Polymorphism Of Piroxicam In Solution And In Melt
19.
High Pressure Structures And Properties Of Typical Oxygen-rich Compounds
20.
Computational Design Of Several New Structural And Functional Materials Using Crystal Structure Prediction
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