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Keyword [Density-functional theory]
Result: 141 - 160 | Page: 8 of 10
141.
First-principles Study Light Metal LiAlH
4
,LiBH
4
Hydrogen Storage And Desorption
142.
A DFT Investigate On Mn, Fe, Co And Ni-encapsulated Alkali-metal Magnetic Superatoms
143.
DFT Investigations On The Double Perovskite Ba
2
FeReO
6
144.
Stable Structures And IR Spectra Of Protonated Ammonia Water Clusters
145.
First-principles Studies Of The Electric Dipole Properties Of Metal Clusters
146.
First Principles Study Of Catalytic Reaction Mechanism On Noble Metal Surface And Nanoparticle
147.
First-principles Study On The Electronic Structure And Magnetism Of Li,Na And K Doped AIN
148.
Theoretical Investigation For One-dimensional Monatomic Chains Of V, Co And Their 1D Alloy Atomic Chains
149.
Terahertz Time-Domain Spectoscopy Of Base And Nucleosides
150.
Theoretical Investigation For Bi-doped C Clusters,Tubelike Isomer Of As_n/Bi_n And A New Class Of B Nanotube
151.
The First-Principles Study On The Based Fe
3
O
4
Of Half-Metallic Properties
152.
First-principles Study On Ferromagnetism In C-doped AIN
153.
The Calculations Research Of The Thermodynamic Properties Of Iron Selenide And Iron Telluride
154.
A DFT Investigation On Eu, Mn Encapsulated Alkali-metal Magnetic Superatoms
155.
A DFT Prediction Of The Interstellar Molecular Candidate NC
2n
N
0,±1
(n=1-4) And Magnetic Silicon Nanotube Eu
2
@Si
30
156.
The Density Profile Of Inhomogeneous Fluid System Under Gravity
157.
First-Principles Study Of Adsorbability Of Graphene
158.
Structural And Electronic Properties Of "Cu
1
3"
±
Clusters Studied By Genetic Algorithm And Density Functional Theory
159.
Molecular Dynamics Simulation Of Structures And Melting Behaviours Of Iridium Clusters With Different Potentials
160.
Density Functional Theory For The Associating Fluid Of A_a Type
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