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Keyword [Ab-initio calculations]
Result: 1 - 20 | Page: 1 of 3
1. Theoretical Investigations On The Intermolecular Interactions Among Some Compounds
2. Study On The Nature Of Some Intermolecular Interactions
3. Theoretical Investigations On Structures And Properties Of B-O And B-Au Clusters
4. PPP Parameterization Study Derived From High-level Ab-initio Calculations
5. Quantum Chemistry Study On The Reaction Mechanism Of Trace Element Se And Sn In The Coal Combustion Process
6. The Photodissociation Mechanisms Of Acrylonitrile: Ab Initio Calculations On Reaction Channels And Surface Intersections
7. Theoretical Studies On The Electronic And Thermodynamic Properties Of Ag Nanowires
8. The Properties Researches And The Theoretical Calculations Of The Dental Materials Ti-Zr/Cu Base Alloys
9. Ab Initio Calculations And Spectroscopic Characterization Of Systems Containing Heavy Elementsm (Manganese, Lanthanum)
10. Glycine Molecule Electron Transfer Reaction Theory
11. Formamide And Its Derivatives On Hydrogen Bonding Clusters Ab Initio Calculations
12. Theoretical Study Of The Structure And Properties Of Several New Materials
13. Investigations On Geometrical Structures And Bonding Characteristics Of Boron-Containing Binary Clusters
14. Accurate Ab Initio Calculations Of Intermolecular Potential Energy Surfaces And The Applications
15. Study On Structures, Thermal Stabilities And Magnetic Properties Of Ni-Mn(Fe, Co)-Ga(In)Ferromagnetic Shape Memory Alloys By Ab-initio Calculations
16. First-Principles Study Of Hydrogen Storage On B12M4（M=Li,Ti,Sc）
17. Composition Dependence Of Structural Parameters, Phase Stability And Magnetic Properties Of Modulated Martensites In Ni-Mn-Ga Alloys Studied By Ab Initio Calculations
18. Evolution Of Steel Property In Continuous Casting And Its Ab Initio Investigations For Fe Matrix At Elevated Temperatures
19. Ab Initio Calculations On The Phase Transition In VO2
20. Theoretical Design Of Cyclic Be-H Clusters And Double-chain Be-H Nanoribbon With Planar Hypercoordinate Bonding Geometries
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