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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 å'Œ 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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