نمایش نتایج جستجو برای
کلمات کلیدی: vibrational frequencies
موارد یافت شده: 9
1 - Density functional efficiency in the calculations of vibrational frequencies and molecular structure of β- diketones (چکیده)2 - Density functional efficiency in calculation of vibrational spectra of carbonyl compounds (چکیده)
3 - Synthesis, X-ray crystallography characterization, vibrational spectroscopy, and DFT theoretical studies of a new organic–inorganic hybrid material (چکیده)
4 - On the reassignment of Vibrational frequencies of Malonaldehyde (چکیده)
5 - Theoretical Vibrational Spectra Studies: The Effect of Ring Size on the Carbonyl Vibrational Frequencies (چکیده)
6 - Theoretical studies of the tetrachlorocuprate (II) anion: ADF geometry optimization, and calculation of the PES, EPR parameters, and vibrational frequencies (چکیده)
7 - 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)
8 - Theoretical studies on the geometry, vibrational frequencies and electronic properties of [X(OH)(6)Mo6O18](4-/3-) (X = Fe-II/Co-III) Anderson-type anions (چکیده)
9 - Density functional theory and Hartree-Fock studies: Geometry, vibrational frequencies and electronic (چکیده)
