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- W2353042237 abstract "If regarding monosubstitued methane (MeZ) and monosubstitued paraffin (RZ) as the unperturbed and perturbed molecules respectively, the first ionization potential, Ip1(RZ) , of the latter can be obtained by the expression:where the Ip1(MeZ) is the first ionization potential of monosubstitued methane, the Δqz is the difference of partial charge on Z in RZ and MeZ molecules, and the ΔPEI is the difference of polarizability effect index ( PEI) between group R and Me. The results obtained show that the mean relative error is only 0.20% between the calculated and experimental IP1(RZ) values for 61 monosubstitued paraffins." @default.
- W2353042237 created "2016-06-24" @default.
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- W2353042237 date "2000-01-01" @default.
- W2353042237 modified "2023-09-25" @default.
- W2353042237 title "Estimation of lonization Potential of M onosubstitued Paraffin" @default.
- W2353042237 hasPublicationYear "2000" @default.
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