Effect of substituent on therate of reaction between 4Y-ArNH2(Y = H, F, Cl, CH3, OCH3, NH2, N(CH3)2, CF3, CN, NO2) with CH3OO• in the gas phase

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Effect of substituent on therate of reaction between 4Y-ArNH2(Y = H, F, Cl, CH3, OCH3, NH2, N(CH3)2, CF3, CN, NO2) with CH3OO• in the gas phase

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Effect of substituent (Y), including halogen (F and Cl), electron donating (ED) and electron withdrawing (EW) group on the thermoparameters and kinetic behavior of reactions between 4Y-ArNH2 and CH3OO was computationally studied using density functional theory (DFT) at M05-2X/6-311++G(d,p) method in combination with the transition state theory (TST) in Eyringpy program. |

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Effect of substituent on therate of reaction between 4Y-ArNH2(Y = H, F, Cl, CH3, OCH3, NH2, N(CH3)2, CF3, CN, NO2) with CH3OO• in the gas phase

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