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Keyword [first principles calculations]
Result: 61 - 80 | Page: 4 of 10
61.
Electronic Structure And Mechanical Properties Of Cubic Al-based Intermetallics
62.
First-principles Calculations For Mechanical Properties Of Super Hard Materials IrN
2
And BC
5
63.
The Calculations Research Of Hydrogen Desorption And Surface Adsorption Properties Of High Capacity Hydrogen Storage Material LiBH
4
and Its Related Phase
64.
Electron Microscopic Investigations And First-principles Calculations Of Typical Barium-based Ferroelectrics And Relaxor Ferroelectrics
65.
First-principles Calculations On The Metal Fluorides And Metal Phosphides
66.
First-Principles Investigation On Electronic Properties Of Graphene
67.
First-principles And Theoretical Studies On Dirac Materials
68.
Gaas Nanowires As Elementary Structures In Microsystems:Growth And Their Characteristics
69.
Effect Of Oxygen On The Martensitic Transformation Inβ-Ti
3
Nb Alloy
70.
Simulations Of Short-range Orders In Solid Solutions And Amorphous Alloys
71.
First-principles Study Of Defects In Carbon And Silicon Based Nanostructures
72.
Graphene And Its Derivatives: A Theoretical Study Of Doping, Strain And Interface Effects
73.
Spintronics Materials And Water Itting Photocatalyst Materials:a First-Principles Design
74.
Preparation And Performance Study Of New Type Superhard Materials In B-C-N System
75.
Syntheses Of Co/Ni-based Catalysts And Their Effects On Hydrogen Storage Properties Of Li-B-N-H System
76.
Inorganic Two-dimensional Ultrathin Materials: Controllable Preparation And Catalytic Properties Study
77.
Theoretical Study Of The Electronic Structures And Related Properties Of Plasmonic Photocatalyst Based On AgCl And TiO
2
78.
Theoretical Studies On Structure Design, Electronic Structure Tuning, And Photocatalytic Properties Of Graphene-Like Carbon Nitrides
79.
Investigation On Materials’ Electronic Properties Based On The “cluster-plus-glue-atom†Model
80.
Theoretical And Experimental Research On Novel Carbon Structures And Their Properties
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