نمایش نتایج جستجو برای
کلمات کلیدی: Density Function Theory
موارد یافت شده: 5
1 - Study of structural, electronic, and mechanical properties of pure and hydrogenated multilayer penta-graphene nano-plates using density functional theory (چکیده)2 - Synthesis, crystal and structural characterization, Hirshfeld surface analysis and DFT calculations of three symmetrical and asymmetrical phosphonium salts (چکیده)
3 - Synthesis, thermal properties, spectroscopic characterization and DFT computations of 1,3-propanediylbis (triphenylphosphonium) peroxydisulfate as a new oxidative agent (چکیده)
4 - Synthesis, crystal structure, Hirshfeld surface analysis, DFT calculations and characterization of 1,3-propanediylbis(triphenylphosphonium) monotribromide as brominating agent of double bonds and phenolic rings (چکیده)
5 - A theoretical study of the mechanism and kinetics of the thermal decomposition of carbamoyl azide (چکیده)
