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Keyword [first-principles calculation]
Result: 1 - 20 | Page: 1 of 10
1.
Experimental Synthesis Of Novel B-C-N Materials And First-Principles Study Of Their Related Materials
2.
Study Of Nanocrystalline Diamond And N-Diamond From Fe Catalyzed Carbon Black Or Carbon Nanotubes
3.
Theoretical Study Of Hardness For A
3
N
4
(A=Si,C) And Synthesis Of B-C-N Compounds By High Pressure And High Temperature
4.
Multi-Scale Calculation And Simulation Of The Microstructure, Phase Transition And Property In Metallic Alloys
5.
Phase Evolution Under High Pressure And High Temperature And Properties Of B-C-N Compounds
6.
Study On Al-5Ti-1B Master Alloy Prepared Under Ultrasound And α-Al/Diboride Interface
7.
Studies On Structures And Properties Of Hexagnal And Rhombohedral Ordered Solid Solutions
8.
Theoretical Research On The Properties Of Several Classical Molecular Electronic Materials
9.
Raman Spectra Of Vanadium Pentoxide From First-Principles Calculation
10.
Quasi-One-Dimensional Nanotubes: Geometry And Electronic Structure Tuning From First-Principles Calculation
11.
Theoretical Study Of Electron Transfer For Organic Systems By First-principles And Quantum Dynamics
12.
First Principles Studies On Nano-and Surface Systems
13.
The Preparation, Modification And Photocatalytic Water Splitting Properties Of ZrW
2
O
8
14.
Alloying And Compositing Of Mg
2
(Si, Sn) Based Thermoelectric Materials
15.
Research On Transparent Conducting ITO Films Doped By High-Valence Metal Element
16.
First-Principles Study Of Chemisorption And Difffusion Of Small Molecules On Carbon Nanotubes
17.
Study On The Dielectric Mechanism Of Ca-Base Complex Perovskite Microwave Dielectric Ceramics
18.
Research On Effect Of Hydrogen In Titanium Crystal By First-Principles Calculation And Molecular Dynamics Simulation
19.
Electron Microscopic Investigations And First-principles Calculations Of Ferroelectric PMN And KNN
20.
The First-principles Studies On The Boron-based And Related Nano-structures
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