نمایش نتایج جستجو برای
کلمات کلیدی: DFT calculation
موارد یافت شده: 8
1 - Ab initio Calculations on Allyl sulfide Eimination Reaction (چکیده)2 - DFT Calculations on retro-ene reactions Part I: allyl n-butyl sulfide pyrolysis in the gas phase (چکیده)
3 - DFT calculations on the retro-ene reactions, part II: allyl n-propyl sulfide pyrolysis in the gas phase (چکیده)
4 - A joint experimental and computational study on the kinetic and mechanism of diallyl disulfide pyrolysis in the gas phase (چکیده)
5 - Structure and vibrational assignment of magnesium acetylacetonate: A density functional theoretical study (چکیده)
6 - Structure and vibrational assignment of beryllium acetylacetonate (چکیده)
7 - vibrational assignment of aluminum(III) tris - acetylacetone (چکیده)
8 - vibrational assignment and structure of 4-amino-3-cyano-3-penten-2-one (چکیده)
