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Keyword [ab initio calculations]
Result: 1 - 20 | Page: 1 of 2
1.
First-principles Study Of Mechanical Properties For Transition Metals And Their Carbides And Nitrides
2.
Order-Disorder Effects On Equation Of State For Substitutional Alloys: Application To Ni-Al System
3.
From Metallic Atomic Chains To Metallic Nanowires: Structural Stabilities And Electronic Properties
4.
The Ordered Metal Clusters On Surfaces: Electronic Properties And Structural Stabilities
5.
The Structure And Magnetism Of Nano-structured W And TM Doped DMS
6.
Metal Aluminum, Copper, Platinum And Lithium High-pressure Physical Properties Of The Ab Initio Calculations
7.
Ab Initio Study Of The Structure And Decomposition Of RDX And The Intermolecular Potential Of Ar-N
2
And H
2
O-H
2
O
8.
Ab Initio Calculations Of The Lithium Deintercalation In Anode Materials For Lithium-ion Batteries LiB
2.5
BCuB
0.5
BN
9.
Ab Initio Calculations Of Elastic Constants And Phase Transition Of ZnSe 和 ZnS
10.
Ab Initio Calculations Of Elastic Constants And Phase Transition Of BeTe And BeSe
11.
Franck-Condon Analysis Study On The Photoelectron Spectra Of Some Small Negative Ions
12.
Ab Initio Calculations On The Magnetism Of Small-sized Metal Clusters
13.
First-principles Study On Elastic Properties, Brittle/Ductile Transition, Mechanical Properties Of NiAl-based Alloys
14.
Theoretical Studies Of Potential Energy Surfaces And Rovibrational Spectrum Of Rare Gas-carbon Disulfide Complexes:He-CS
2
, Ne-CS
2
and Ar-CS
2
15.
Many-body Contributions Among Solid Neon And Krypton&Their Influences To The High-pressure Equations Of State
16.
Studies On Ionization And Dissociation Processes Of Ethyl Bromide In Intense Femtosecond Laser Field
17.
Two Infrared Detection Materials And Of Mg <sub> 2 </ Sub> The Feh <sub> 6 </ Sub> Electronic Structure And Optical Properties Of The Theory
18.
First-Principles Investigation On New Functional Molecular Electronic Devices
19.
Molecular Elimination Reactions And Hydrogen Migration Processes In An Intense Femtosecond Laser Field
20.
Adsorption And Dissociation Of H
2
on Aluminum Cluster Anions Studied By Ab Initio Calculations
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