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- W2350996845 abstract "The 2-phenyl-5-(6-pyridazinon-3-yl)-1,3,4-oxadiazoles were subjected to structural optimization and calcula-tion of frequency at B3LYP/6-31+G*level,and their IR spectrum,Raman spectrum and thermodynamic properties under dif-ferent temperatures were thus worked out.The result shows that the molecules of pyridazine ring,oxadiazole and phenyl ring were on the same plane.The molecule as a whole does not have any symmetry.There exists an excellent function relation for-mula between the thermodynamic properties(such as the gaseous heat capacity,entropy,enthalpy) and temperature." @default.
- W2350996845 created "2016-06-24" @default.
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- W2350996845 date "2011-01-01" @default.
- W2350996845 modified "2023-09-23" @default.
- W2350996845 title "Theoretic Study of 2-phenyl-5-(6-pyridazinon-3-yl )-1,3,4-oxadiazoles on Its Molecular Structure, Spectrum and Thermodynamic Properties" @default.
- W2350996845 hasPublicationYear "2011" @default.
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