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Dataset of Theoretical MEP, HOMO-LUMO Band gap and Experimental Cole-cole plot of 4-(ortho-, meta- and para-fluorophenyl)thiosemicarbazide isomers

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https://data.mendeley.com/datasets/94ffhf2224
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资源简介:
All raw data are experimental Molecular Electrostatic Potential (MEP) and Highest Occupied Molecular Orbital – Lowest Unoccupied Molecular Orbital (HOMO – LUMO) from Gaussian 09 software are also included. In addition, the experimental Cole-cole plot was measured by Electrical Impedance Spectroscopy (EIS) using HIOKI 3532-50 LCR Hi-Tester interfaced to a computer. All data are important in conductivity interpretation.
创建时间:
2020-06-30
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