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Ab initio investigation of Co/TaC interfacesAb initio investigation of Co/TaC interfaces
Теоретическое исследование процесса диссоциативной хемосорбции водорода нанотрубами состава MgB2
is investigated by the ab-initio DFT method. It was shown that this material may be effective sorbent
of hydrogen
Modification and ab-initio spectroscopic application of modified commerce terahertz spectrometer by using homemade partsAb-initio study on modification of commerce terahertz spectrometer with time resolution Z-3 (Zomega
Atomic arrangement and electron band structure of Si(1 1 1)-ß-√3×√3-Bi reconstruction modified by alkali-metal adsorption: Ab initio studyUsing ab initio calculations, atomic structure and electronic properties of Si(1 1 1)$sqrt{3} imes
Ab initio исследование фосфоресценции гетеро[8]циркуленовВпервые проведены квантово-химические расчеты времени жизни фосфоресценции ab initio методами CC2 и
Ab initio variational predictions for understanding highly congested spectra: rovibrational assignment of 108 new methane sub-bands in the icosad range (6280–7800 cm-1) performed using global variational calculations derived from accurate ab initio potential energy and dipole
Van der Waals complexes between carbonyl fluoride and boron trifluoride observed in liquefied argon, krypton, and nitrogen: A FTIR and ab initio study and ab initio at the MP2/aug-cc-pVTZ level, indicates that the complexation can occur either via
Ab-initio investigation of spin states of sodium cobaltate Na 2/3CoO2 the CoO2 slabs. In the present research we have investigated ab-initio the appearance of such state in Na
Ab initio investigation of electronic and magnetic properties of antiferromagnetic/ferroelectric LaMnO3 /BaTiO3 interface and magnetic properties of LaMnO3/BaTiO3 heterostructure by means of ab initio calculations within the GGA
Electronic structure and optical properties of Ca2Si films grown on silicon different oriented substrates and calculated from first principles to Kramers–Kronig are in good agreement with each other. Comparison of ab initio calculations of the energy
Страница 24 из 2007
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