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Keyword [Density-functional theory]
Result: 161 - 180 | Page: 9 of 10
161.
Density Functional Theory Calculations Of Boron And Li,Al Atoms Doped Boron Clusters
162.
Density Functional Theory Study Of Dimethyl Ether Adsorption On The Low-Index Pt Surface
163.
Density Functional Theory Studies Of The Interaction Between Gold Cluster And Organic Molecules
164.
Theoretical Studies On I-V Properties Of Organic Molecular Junctions
165.
The Theoretical Prediction Of Isomers And Infrared Spectrum Of Interstellar Molecule SiC
4
H
166.
Density Functional Theory Studies On The Structures And Electronic Properties Of Mo And Mo
2
N Clusters
167.
Density Functional Theory Study For The Charged Hard Sphere Fluids
168.
Density Functional Theory Study Of Hydrogen Adsorption On Ti(0001) Surface
169.
The Theoretical Study On Structure And Properties Of Energetic Solid TATB Under Extreme Condition
170.
Electronic Structure And Characteristics Of Bent Graphene
171.
Density Functional Theory Study The Electrical And Optical Properties Of Graphene Doped With Pd
172.
A Theoretical Study On The Structures, Properties Of Pt_n Clusters And The Adsorption Of Gas Molecule On Them Under External Electric Field
173.
A Systematic Study Of Even-even Nuclei From Ne To Ca In Covariant Density Functional Theory With Triaxiality
174.
Electronic Properties Of Graphene Antidot Lattices And MoS
2
Nanoribbon
175.
Effect Of Co、Zn And Al Doping On The Structural And Properties For Multiferroic GaFeO
3
176.
Theoretical Research On The Structures And Spectral Properties For Ti
n-m
Zr
m
O
2n
（n=2-7,0≤m≤n） Clusters
177.
The Hybrid Density Functional Theory Study Of Wurtzite Semiconductors Under High Pressure
178.
First-principles Study On The Electronic Structures And Optical Properties Of Non-centrosymmetric Superconductors Y
2
C
3
、Li
2
Pd
3
B And Li
2
Pt
3
B
179.
The Noncollinear Magnetism Of Small Size Alloying Cluster And One Dimensional Atomic Chain
180.
The Structure And Characteristics Of Photocatalytic In TiO
2
:the First Principle Study
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