DFT/B3PW91 method using 6–311G basis set was employed to determine the optimized structure of ferrous fumarate. Consecutive vibrational modes have been assigned and the calculated structural parameters were compatible with the experimental results. Ionization energy was found to be very low (0.263 ...
218.20 4,4- difluorobenzophenone CAS: 345-92-6Use(s): indirect food additives: adhesives and components of coatings 218.21 triacetin CAS: 102-76-1 FEMA: 2007 JECFA: 920Use(s): flavoring agents and adjuvants, formulation aids, humectants, solvents and vehicles 218.21 ...
Vibrational Studies, Quantum Chemical Calculations, and Molecular Modelling of Ferrous FumarateDFTRaman and IR spectroscopyvibrational modesMEPstabilitymolecular docking8-hydroxyquinolinium succinate (8HQSU), an organic material has been synthesized and single crystals were grown by employing the technique ...
Vibrational studies, quantum chemical calculations, and molecular modelling of ferrous fumarateDFTRaman and IR spectroscopyvibrational modesMEPstabilitymolecular dockingdoi:10.1139/cjp-2017-0216P. JustinR. Niranjana DeviK. AnithaCanadian Journal of Physics...