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- W4200000869 abstract "In this work we report calculated integral and differential cross sections for elastic electron collision with formamide, acetamide and their respective methylated derivatives, for impact energies up to 6 eV. Our calculations were performed with the Schwinger multichannel method with pseudopotentials, in the static-exchange and static-exchange plus polarization approximations. The aim of this work is to investigate the methylation effect on the π∗ shape resonance, which is present in the A″ symmetry of all studied systems. Our results were compared with existent data from the literature and showed good agreement. Stabilization or destabilization of the π∗ resonance due to methylation occur, but there is no clear tendency on stabilization or destabilization among the methylated derivatives. Changes in the widths of the resonance due to the methyl group were also observed." @default.
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- W4200000869 date "2022-03-01" @default.
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- W4200000869 title "Effect of single and double methylation on the position of the <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML altimg=si12.svg><mml:mrow><mml:msup><mml:mrow><mml:mi>π</mml:mi></mml:mrow><mml:mrow><mml:mo>∗</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math> shape resonance of formamide and acetamide" @default.
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- W4200000869 doi "https://doi.org/10.1016/j.chemphys.2021.111432" @default.
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