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pro vyhledávání: '"李兴春 Li Xing-chun"'
Publikováno v:
Chinese Journal of Luminescence. 33:1389-1397
The optimum molecular geometry of phenanthrene(PHE) was calculated by the B3LYP method of density functional theory(DFT) using 6-311++G(d,p) basis sets,and data source of vibration frequency,polarizability,and thermo-dynamical parameters were set up.