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Keyword [ab initio]
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1. Theoretical Study Of Polyphenylene-based Molecular Electronic Systems
2. Ab Initio Study Of Carbon-related And Self-interstitial Defects In Si And SiGe Alloy Semiconductors
3. Studies On Intense-light Photoionization Of 1D Cluster Model
4. Methanol, Ethanol And Acetone Mixed Clusters Of Laser Ionization Mass Spectrometry
5. Studies On Magnetism Of Semiconductor And Ultiferroic Materials
6. Ab-initio Study Of Half-metallic Ferromagnetism Response In Transition Metal Doped Semiconductors
7. Ab Initio Study Of ZnTe Semiconductor Alloys And The Thin Films Prepared
8. Ab Initio Study Of The Structural Stability And Electronic Structure Of Damaged GaxAl1-xAs/GaAs Semiconductor Superlattice
9. Theoretical Study On The Sub-10 Nm Two-dimensional Tunneling Transistors
10. Development of an Evolutionary Algorithm for the ab Initio Discovery of Two-Dimensional Material
11. Frequency analysis of the nu(9) band of ethane-d6: Experiment and ab initio calculations
12. Ab initio molecular dynamics of hydrogen-bonded systems: I. Influence of water on atmospheric reaction intermediate stability: Case study of hydroxy isoprene radical, II. Time-translation projection operators for computing temporal signatures in vibration
13. Ab Initio Studies of Surfaces and Interfaces
14. The methylhydroxycyclohexadienyl radical: Ab initio computation and automation of the detection instrumentation
15. Photofragmentation spectroscopy of the zirconium and niobium cluster cations and ab initio studies
16. A computational investigation of inorganic systems using ab initio methods
17. Large-scale ab initio quantum chemistry: Selected applications and algorithmic development for parallel computers
18. Slave Mode Expansion for Obtaining Ab Initio Interatomic Potentials and its Applications
19. Structural Optimization Design Of Two-dimensional SnS And SnSe Tunneling Transistors
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