Quantum Chemical Model of Technetium Carbide
نویسندگان
چکیده
منابع مشابه
Simulations of Silicon Carbide Chemical Vapor Deposition
ii by using insulation material correctly, a more uniform temperature distribution can be obtained. A model for the growth of SiC is used to predict growth rates at various process parameters. A number of possible factors influencing the growth rate are investigated using this model. The importance of including thermal diffusion and the effect of etching by hydrogen is shown, and the effect of ...
متن کاملChemical Simulation and Quantum Chemical Calculation of Lignin Model Compounds
The conformational preferences of the lignin guaiacyl structural unit were studied by several quantitative chemistry calculation methods using vanillin as a model compound. The potential energy surfaces of the vanillin molecule were scanned by the methods of HF and DFT to find the most stable conformation, as well as three local minimum conformations and six transient conformations. Bonds stren...
متن کاملQuantum Hall resistance standards from graphene grown by chemical vapour deposition on silicon carbide
Replacing GaAs by graphene to realize more practical quantum Hall resistance standards (QHRS), accurate to within 10(-9) in relative value, but operating at lower magnetic fields than 10 T, is an ongoing goal in metrology. To date, the required accuracy has been reported, only few times, in graphene grown on SiC by Si sublimation, under higher magnetic fields. Here, we report on a graphene devi...
متن کاملSilicon Carbide for Novel Quantum Technology Devices
Silicon carbide (SiC) has recently been investigated as an alternative material to host deep optically active defects suitable for optical and spin quantum bits. This material presents a unique opportunity to realise more advanced quantum-based devices and sensors than currently possible. We will summarise key results revealing the role that defects have played in enabling optical and spin quan...
متن کاملHigh-Level Quantum Chemical Calculations of Ozone-Water Complexes
The structural and energetic characteristics of O3–H2O complexes have been investigated by means of B3LYP, MP2, MP4(SDTQ), CCSD(T) and QCISD(T) methods in conjunction with the AUG-cc-pVDZ and AUG-cc-pVTZ basis sets. Six conformers were found for the O3–H2O complex. Two different intermolecular interactions were expected to participate in the formation of complexes, namely conventional O∙∙∙H hyd...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Journal of Nuclear and Radiochemical Sciences
سال: 2005
ISSN: 1345-4749
DOI: 10.14494/jnrs2000.6.3_215