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Keyword [Ab initio]
Result: 61 - 80 | Page: 4 of 10
61.
Ab Initio Calculations On The Magnetism Of Small-sized Metal Clusters
62.
Study On Vibrational Properties And Melting Behavior Of Small Silicon Clusters
63.
Spectroscopic Parameters And Potential Energy Function For Ground State Of Small Clusters Of Li,B And Be,H
64.
Theoretical Study About Primary Particles Of BTO Unit Cell Adsorption On Si(001) Surface
65.
Theoretical Investigation On The Structure And Stability Of Clathrate Hydrates H
2
-(H
2
O)
1
2
66.
Anharmonic Modification Of The Thermofunction Of Be
67.
Ab Initio Study Of Electronic Structure And Optical Properties Of A
â…
B
â…¢
C
2
â…¥
68.
First-principles Study On Elastic Properties, Brittle/Ductile Transition, Mechanical Properties Of NiAl-based Alloys
69.
Thermal And Elastic Properties Of Stishovite And The CaCl
2
-type Silica:an Ab Initio Investigation
70.
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
71.
Ab-initio Prediction Of Residue Contacts And Its Application To Protein3D Structure Modeling
72.
Many-body Contributions Among Solid Neon And Krypton&Their Influences To The High-pressure Equations Of State
73.
Studies On Ionization And Dissociation Processes Of Ethyl Bromide In Intense Femtosecond Laser Field
74.
Ab-initio Studies On The Electronic Structures And Optical Properties Of Ba
2
Ti
2
Fe
2
As
4
O And CaIr
2
75.
The Study Of Catalytic Mechanism For Small Noble Metal Clusters Adsorbed CO And N
2
O/SO
2
Molecules
76.
Using Ab Initio Investigate The Structure And Spectrum Of (RbCs)_n(n≥2)
77.
Theoretical Studies On Structures In Ground State And IR Vibrational Spectra Of Hydrated Sodium Sulfate Ion Clusters
78.
Ab Initio Studies On Crystal Structures And Properties Of Li-CH
4
Compounds Under High Pressure
79.
Ab Initio Studies On Magnetic Properties Of Metallic Clusters
80.
Ab Initio Study Of Spectroscopic Constant And Anharmonic Force Field Of SiH_nR_m(n=0,2, M=2;R=F,Cl)
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