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Articles by keyword: «Ab Initio Calculations»

• Ab Initio Based O-O Investigation and the Snoek Relaxation in Nb-O
  Published in: Internal Friction and Mechanical Spectroscopy (p63)
• Ab Initio Calculation of Mechanical Properties of Stacking Fault in 3C-SiC: Effect of Stress and Doping
  Published in: Silicon Carbide and Related Materials 2011 (p415)
• Ab Initio Calculations of Kinetic Properties in ZrC and TiC Carbides
  Published in: Solid-Solid Phase Transformations in Inorganic Materials (p990)
• Ab Initio Investigations of Electronic Structure and Optical Properties of Ag-F Codoped ZnO
  Published in: New Materials and Advanced Materials (p1097)
• Ab Initio Phonon Dispersion Curves Used to Check Experimentally Determined Elastic Constants of the MAX Phase Ti₃SiC₂
  Published in: Structural Integrity and Failure (p135)
• Ab Initio Study of Selected PAMAM Dendrimers: von Neumann Entropies Analysis
  Published in: Journal of Nano Research Vol. 9 (p1)
• Ab Initio Study of the Phonon Frequency, Electrical and Thermal Properties of TiN
  Published in: Mechanical Engineering and Green Manufacturing II (p291)
• Ab Initio Study of the Structural and Mechanical Properties of Hf-Si-N
  Published in: Manufacturing Engineering and Automation I (p22)
• Ab Initio Study on Ta:SnO₂
  Published in: Materials Science and Engineering Applications (p574)
• Ab Initio Study on the Structural Stability and Elastic Properties of Tungsten Borides with Hexagonal Structure
  Published in: Applied Materials and Electronics Engineering (p715)
• A First Principles Study of Interstitial Si in Diamond
  Published in: Defects in Semiconductors 19 (p781)
• A Formation Mechanism of X Level due to an Indium-Carbon Dimer in Silicon
  Published in: Progress in New Materials and Mechanics Research (p154)
• Ab Initio Studies of Nb Doping Effect on the Formation and Diffusion of Oxygen Vacancy and Ti Interstitial in Rutile TiO₂
  Published in: Multi-Functional Materials and Structures Engineering (p142)
• Ab Initio and Experimental Studies on the Structure of Amorphous Aluminophosphate Oxynitrides (AIPON)
  Published in: Nitrides and Oxynitrides (p313)
• Ab Initio Calculation of the Electromigration Wind Valence in Metals
  Published in: Diffusion in Materials DIMAT 1996 (p1645)