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Keyword [ab-initio]
Result: 21 - 40 | Page: 2 of 10
21.
Investigations On Local Structure Of Molten Alloys By Experimental And Ab Initio Methods
22.
Study Of Alloy Phase Formation By Thermodynamics,Molecular Dynamics Simulation And Ion Beam Mixing
23.
First-Principles Study Of The ABO
3
-type Rare-Earth Transition-Metal Oxides
24.
Ab Initio Studies On Some Borane Ions And Their Derivatives
25.
Quantum Chemical Investigation Of Energetic Compounds In Dimers And Solid States
26.
Studies On Photodissociation Of Bromine-Containing Compounds Using Ion Velocity Imaging Method
27.
Computational And Experimental Study On The Mechanism Of A Novel Tandem Reaction
28.
Study On The Excited States Of Several Molecular Systems: Potential Energy Surface Intersections And The Properties Of The Organic Light-emitting Material
29.
Ab Initio Study Of Nitrogen Doping Carbon Nanotubes
30.
Ab Initio Studies Of Confomations And Properties Of Amino Acids And Fire Suppression Reaction Kinetics Of CF3H
31.
Theoretical Study On The H-bonded Dimmers For Some Biological Systems
32.
Unimolecular Reaction Theoretical Studies And Construction Of Potential Energy Surface
33.
Theoretical Investigations On The Intermolecular Interactions Among Some Compounds
34.
Structure And Properties Of Liquid And Amorphous Binary Alloys Simulated By Ab Initio Molecular Dynamics
35.
Experimental And Theoretical Studies On The Thermal Stability Of Nitrates
36.
Highly Refined Acquisition Of High Temperature Raman Spectra And The Fundamental Research Of Quantitively Analysis
37.
Construction And Application Of N-body Potential In Binary And Ternary Transition Metal Systems
38.
Ab Initio Study Of Boron-doped Carbon Nanotubes
39.
Theoretical Study Of Halogen Bonding-A World Parallel To Hydrogen Bonding
40.
Study On The Nature Of Some Intermolecular Interactions
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