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Keyword [first-principles calculation]
Result: 81 - 100 | Page: 5 of 10
81.
Theoretical And Experimental Research On Novel Structures And Properties Of Silicon And Transition Metal Borides
82.
Design And Modification Of Tungsten Oxide Nanostructures For Gas-Sensing And Photocatalysis
83.
Effects And Mechanisms Of Alloying Elements On The Stacking Fault Energy And Twin-boundary Segregation Energy Of Mg
84.
First Principles Study On De/hydrogenation Of MA1H
4
（m=li, Na） With Titanium And Graphyne Catalyst
85.
Theoretical Studies On The Clusters Of Spectra And Superatomic Characteristics
86.
Magnetic Anisotropy Energy And Property Analysis Of Magnetic Functional Materials
87.
Controllable Preparation Of NdFeO
3
-Based Micro/Nanoscale Structures And Their Properties
88.
Interface And Defect Studying Of Ferromagnetic La
2/3
Sr
1/3
MnO
3
And SrRuO
3
89.
First-Principles Calculation And Design Of Some 2D Materials
90.
The Adsorption Properties Of Chlorinated Hydrocarbon In Flexible Metal Organic Frameworks
91.
The Screening Mechanisms Of The Depolarization Field In Ferroelectric Nanostructures：a Multi-scale Investigation
92.
Interaction Between Oxides And Solute Atoms In Steel And The Effects On The Formation Of Ferrite
93.
Investigation On Surface And Interface Of CVD-SiC Fiber
94.
Investigations Of Strengthening Precipitate Evolutions In High-performance Automotive Aluminum Alloys For Tailoring Their Microstructures And Properties
95.
Oxygen Adsorption, Diffusion And Incorporation On Ru(0001) Surface:a First Principle Study
96.
Strain On 3d Transition Metals Adsorbed Graphene: A First-principles Study
97.
H-bond Enhanced Adsorption And Dissociation Of Polar Molecules On Silicene And Si/Ge(100)-2×1 Surfaces
98.
First Principles Studies On Adsorption And Co-adsorption Of N
2
O And H On Ir Surfaces
99.
First-principles Study Of The Generalized-stacking-fault Energy In Mg
139
Al
4
Sn
1
and Ti
4.5
Si
3
Me
0.5
With Hexagonal Structure
100.
Influence Of Al Alloying On The Properties Of Mosi
2
: First-principles Calculation And Experiment Study
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