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Keyword [density functional]
Result: 161 - 180 | Page: 9 of 10
161.
First-principles Study On The Electronic Structure And Magnetism Of Li,Na And K Doped AIN
162.
Theoretical Investigation For One-dimensional Monatomic Chains Of V, Co And Their 1D Alloy Atomic Chains
163.
Terahertz Time-Domain Spectoscopy Of Base And Nucleosides
164.
Theory Study On Endohedral Metallofullerence La
2
@C
80
(I
h
) And PrSc@C
80
165.
Super-allowed β Decays And The Shape Coexistence Phenomena In Kr Isotopes With Point-coupling Covariant Density Functional
166.
Theoretical Investigation For Bi-doped C Clusters,Tubelike Isomer Of As_n/Bi_n And A New Class Of B Nanotube
167.
The First-Principles Study On The Based Fe
3
O
4
Of Half-Metallic Properties
168.
First-principles Study On Ferromagnetism In C-doped AIN
169.
The Calculations Research Of The Thermodynamic Properties Of Iron Selenide And Iron Telluride
170.
A DFT Investigation On Eu, Mn Encapsulated Alkali-metal Magnetic Superatoms
171.
A DFT Prediction Of The Interstellar Molecular Candidate NC
2n
N
0,±1
(n=1-4) And Magnetic Silicon Nanotube Eu
2
@Si
30
172.
The Density Profile Of Inhomogeneous Fluid System Under Gravity
173.
First-Principles Study Of Adsorbability Of Graphene
174.
Structural And Electronic Properties Of "Cu
1
3"
±
Clusters Studied By Genetic Algorithm And Density Functional Theory
175.
Molecular Dynamics Simulation Of Structures And Melting Behaviours Of Iridium Clusters With Different Potentials
176.
Density Functional Theory For The Associating Fluid Of A_a Type
177.
Density Functional Theory Calculations Of Boron And Li,Al Atoms Doped Boron Clusters
178.
Density Functional Theory Study Of Dimethyl Ether Adsorption On The Low-Index Pt Surface
179.
Density Functional Theory Studies Of The Interaction Between Gold Cluster And Organic Molecules
180.
Theoretical Studies On I-V Properties Of Organic Molecular Junctions
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