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Keyword [ab-initio calculations]
Result: 21 - 33 | Page: 2 of 2
21.
First-Principles Study Of Electronic Structure And Magnetic Properties Of Orthorhombic CrGa
2
Sb
2
And MnGa
2
Sb
2
22.
First-principles Investigation On Transport Properties Of Molecular Junctions With Graphene/Graphyne Electrodes
23.
Pressure Induced Superconductivity In Several Topological Materials
24.
Elasticity Of Spinel At High Pressures And Temperatures:Implications For The Hales Discontinuity
25.
Designing The Shock Impedance Of Zn
x
Mg
1-x
Al
2
O
4
Spinel To Match That Of Fe Via Ab Initio Calculations
26.
Ab initio calculations of structure and ionization energies of the five guanine tautomers
27.
Photodissociation studies using velocity ion imaging method, and, High-level ab initio calculations of molecular energetic and spectroscopic properties and benchmarking with experiments
28.
The application of midbond basis sets in efficient and accurate ab initio calculations on electron-deficient systems
29.
Tight binding parameterization from ab-initio calculations and its applications
30.
First-principles Calculations On The Structures And Electronic Structures Of Graphene Allotropes And Their Nanotubes
31.
First-principles Study Of Spin Hall Effect In The 5d Transition Metal Compound
32.
Ab Initio Study On The Topological Electronic Properties Of Transition Metal Phosphides And Carbon Allotrope
33.
Erbium Nanowires On Silicon Surface: A First-principles Study
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