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Keyword [first principles calculation]
Result: 81 - 100 | Page: 5 of 10
81.
First-principles Studies Of The Single-molecule Chemical Reactions And The Photocatalytic Mechanism On TiO
2
Surfaces
82.
Computational Simulation On Transport Properties Of Minerals And Case Studies
83.
Positron Theoretical Calculation And Its Application To The Analysis Of The Material Microstructures
84.
Theoretical Investigation On The Defects And Defect-induced Multiferroic Properties In ABO
3
-type Ferroelectrics
85.
First-principles Study Of Group â…£ And Typical Lanthanides Hydrides Under High Pressure
86.
Electronic Structures Of Low Dimensional Nano Heterojunction:First-principles Study
87.
First-principles Study Of Crystal-field And Paramagnetic Parameters Of Rare-earth Ions In Inorganic Systems
88.
Investigation On The Preparation And Multiferroic Properties Of Half Cr-doped YMnO
3
Epitaxial Films
89.
Theoretical Investigation Of Structural Stabilities And Electronic Properties Of Silicon Nanocrystals
90.
First-principles Study Of D
0
Magnetism In Li-doped SnO
2
91.
First-principles Study On Phase Change Memory Alloys: Electronic Excitation Mechanics Of Ge
2
Sb
2
Te
5
and Origins Of Stability Of Amorphous Ge
1
Cu
2
Te
3
92.
First Principles Studies On Transport Properties Of Molecular Devices And Electronic Structures Of Magnetic Adatoms On Metal Surface
93.
Ab-initio Studies On The Iron-Arsenic-based Superconductors And Dilute Magnetic Aemiconductor Sn
1-x
Zn
x
O
2
94.
First-principles Study On Selected Magnetic Systems
95.
The Catalytic Properties And Growth Of Two-dimensional Carbon-based Materials:a First Principles Calculation Study
96.
Theoretical Studies Of Ferroic And Optical Properties In Multiferroics
97.
Structure And Photovoltaic Properties Of Cu
2
FeSnS（Se）
4
Thin Films
98.
First Principles Study Of Structural And Superconducting Properties Of Aromatic Hydrocarbon Systems
99.
Growth Mechanism And Physical Properties Of Lowdimensional Atomic Crystal Materials On Metal Substrates-First Principles Calculations
100.
Theoretical Investigation On Multiferroic Properties And Structural Phase Transitions In ABX
3
-type Compounds
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