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Keyword [Density Functional Theory (DFT)]
Result: 21 - 40 | Page: 2 of 3
21.
Based On Density Functional Theory (dft) Ni <sub> 3 </ Sub> Of Al Ion Microscope Like The Theoretical Analysis
22.
The Structure And Properties Of The Lanthanum Nickel Clusters Based On Density Functional Theory (dft)
23.
Containing Heavy Metals In Small Clusters X_nin_m (x = Au, Ag, Cu; M, N ¡Ü 6) The Theoretical Research
24.
¢ò - ¢ö Family Of Chalcogenide Compounds, Electronic Structure And Optical Properties From First Principles Study
25.
First-principles Study Of Graphene-like Molybdenum Disulfide
26.
Theoretical Investigation Of Proton Transfer Mechanism In The Adenine-Thymine Anion Base Pair
27.
The First Principle Calculations For The Crystal Structure And Thermodynamics Propertites Of Metal Vanadium And Lead-Tin Alloy
28.
Density Functional Theory Study Of Noble Metals Au-doped And Ag-doped Clusters
29.
First-principles Simulation And Calculation Of Mechanical Properties Of TiN&NbN, And Structure Stability Of CO Adsorbed On TiN Surface
30.
First-principles Study Of Armchair Graphene Nanoribbons
31.
Chiral Molecular Clusters And Single Molecule Magnets Studied By STM
32.
Using The First-principles To Analysis The Atomic Doping Methods For Opening Graphene Band Gap
33.
Structural, Electronic And Magnetic Properties Of CoPt Alloy Clusters:the Density Functional Theory Investigation
34.
Development And Application Of Localized Orbitals Based First-principles Package
35.
The Assembly Of Non-natural Nucleotides And The Structural Properties Of Their DNA Strands
36.
Magnetic Properties Of Transition-Metal Atom Adsorbed And Doped Monolayer Black Phosphorus
37.
Theoretical Study About Isotope Effect Of Hydriding For Aluminum Oxide And Potential Energy Function Of FeH
2
38.
Theoretical Study On The Adsorption And Dissociation Of Water On Flat And Stepped Co(0001) Surfaces
39.
Theoretical Study On The Structure And Properties Of V_mF_n(m=1,2;2?n?7) Clusters
40.
Particle-Particle RPA And The RPA Gradient Within The Numerical Atomic Orbital Framework
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