نمایش نتایج جستجو برای
کلمات کلیدی: DFT methods
موارد یافت شده: 3
1 - Conformational analysis, structure and vibrational assignment of hexafluoroacetone. A density functional theory study (چکیده)2 - Gas phase kinetics and mechanism of 2,2-dimethyl but-3-enal and 1-methyl-6-methylenecyclohexa-2,4-diene-1-carbaldehyde retro-cheletropic ene reaction (چکیده)
3 - Comparison between optimized geometries and vibrational frequencies calculated by the DFT methods for the Anderson-type heteropolyanion: Hexamolybdoaluminate(III),[Al-III(OH)(6)Mo6O18](3-) (چکیده)
