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- W2007392016 abstract "In the present work, a set of cyclooctane and cyclohexane molecular surfaces were used to solvate excess electrons using hydrogen sulfide ( H 2 S ). The compounds implemented have been constructed with OH groups on one side of the hydrocarbon surfaces and hydrogen atoms on the opposite side. These OH groups increased the dipole moment of systems. Simultaneously the hydrogen atoms on the opposite side of the surface for a pocket of positive charge that can attach excess electrons via dipole-bound states. The solvated anions formed between the molecular surfaces and hydrogen sulfide are stable with respect to vertical electron detachment (VDE). The effect of basis sets was also addressed in the context of VDE calculations." @default.
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- W2007392016 date "2008-02-01" @default.
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- W2007392016 title "HYDROGEN SULFIDE STABILIZATION OF AN EXCESS ELECTRON ON MOLECULAR SURFACES" @default.
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- W2007392016 doi "https://doi.org/10.1142/s0219633608003666" @default.
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