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Keyword [ab initio]
Result: 1 - 20 | Page: 1 of 10
1.
Many-Body Correlations Among Helium Atoms & Equation Of State Of Condensed Helium At High Density And High Temperature
2.
Theoretical Investigations Into The Interaction Between Nucleic Bases And Small Active Inorganic Molecules
3.
First-principles Study Of Mechanical Properties For Transition Metals And Their Carbides And Nitrides
4.
Order-Disorder Effects On Equation Of State For Substitutional Alloys: Application To Ni-Al System
5.
Mass Analyzed Threshold Ionization Spectroscopy Of Bromopropanes And Methylindoles
6.
The Electronic Structures And Transport Properties Of Hole-doped LiCoO
2
Materials
7.
Molecular Structure, Potential Energy Function And Thermodynamic Properties Of Aluminum Oxidations And Aluminum Hydrides
8.
From Metallic Atomic Chains To Metallic Nanowires: Structural Stabilities And Electronic Properties
9.
The Ordered Metal Clusters On Surfaces: Electronic Properties And Structural Stabilities
10.
Ab Initio Studies Of The Pressure-indcued Phase Transitions In Binary Semicondcutors
11.
The Structure And Magnetism Of Nano-structured W And TM Doped DMS
12.
Experimental And Theoretical Investigations Of Photoionization And Photodissociation Mechanisms Of Cycloketones And Pyrrolidine Molecules
13.
Gold Nanotubes, Boron Nanotubes, And Metal-encapsulted Silicon Fullerenes: Ab Initio Predictions Of Configurations, Properties, And Performances
14.
Lattice Dynamics And Thermodynamic Properties Of Binary Compound Semiconductors From First Principles Study
15.
High Pressure Properties Of Simple Elemental Metals And Related Intermetallics: Ab Initio Studies
16.
Ab Initio Study Of Site Preference And Partition Of Alloying Elements In Co-based Superalloys
17.
Ab Initio Studies Of Solid Halogens And Halide Under High Pressure
18.
Theoretical Analysis Of Bonding Mechanisms In The Ionic Clusters Containting Noble Gas And Noble Metal
19.
Methylation Of Histone H3 Tail Lysine
20.
The Impulse Response Of A Ductile Material: A New Model Of Dynamic Damage And Fracture, Structural Phase Transitions
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