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Keyword [First-principles]
Result: 121 - 140 | Page: 7 of 10
121.
First-Principles Studies Of Hydrogen-Storage Materials
122.
First-principles Calculations Of Defect Formation,Diffusion And H
2
Dissociation In Chemical Hydrides
123.
First-principles Calculations On The Thermodynamic And Mechanical Properties Of Ti-Al-(Zr, Hf)-N Wear-resistant Coating Systems
124.
The Effect On Transport Properties Of Zigzag Graphene Nanoribbion With Doping, Defect And Edge Modulation
125.
Experimental And Computational Investigation On The Thermodynamic And Elastic Properties Of Key Binary And Ternary Systems In Al Alloys
126.
Defects, Band Structures And Optical Properties Of Pr And Zn/Al Doped Titanates Luminescent Materials:a First-principles Calculation
127.
In Doping Of First-principles Study Of Low-dimensional Germanium Based Nanomaterials
128.
Of Silicon Nanoribbons And Fluorine Saturated Aluminum Nitride Nanobelts First-principles Study
129.
Waste Coal-based Activated Carbon Regeneration The Preparation By Fe Composite Arsenic Removal Mechanism Studies
130.
First-Principles Study Of Carbon Nanotubes
131.
A Calculation Of The Alloying Effect On The Mechanical Properties Of B2-NiAl Intermetallic Compound
132.
First-principles Study On The Band Gaps Of Zigzag Single-walled Carbon Nanotubes
133.
Construction Of N-body Interatomic Potential For Some Binary Alloy Systems And Its Application
134.
First-Principles Investigation Of NiTi Alloy
135.
Electronic Structure And Hardness Of The Transition Metal Osmium And Its Compounds: First-principles Calculations
136.
First-principles Calculation On The Dielectric Properties Of Si
3
N
4
And BN
137.
The Effect Of N-Doping And Nano-PdO On The Optical Properties Of TiO
2
Thin Films
138.
Compute And Study Mg_n(n=2-8), Mg_nLa(n=2-6) And Mg_nTi(n=2-6) Clusters By The First-principles Theory
139.
First-principles Calculations Of Electronic Structure And Mechanical Property Of TiN
140.
First-principles Studies On The Structures And Electronic Properties Of Neutral And Singly Charged Silver Clusters
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