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The vertical electron detachment energies (VDEs) of twenty MX 3- (M=Mg, Ca; X=F, Cl, Br) anions were calculated at the OVGF level with the 6-311++G(3df) basis sets. The largest vertical electron binding energy was found for MgF 3- system (8.793 eV). All negatively charged species possess the VDEs that are larger than 5.9 eV and thus may be termed superhalogen anions. The...
The binding of an excess electron to the ylides H 3 NPH and HNPH 3 was studied at the coupled cluster level of theory with single, double, and non-iterative triple excitations and with extended basis sets to accommodate the loosely bound excess electron. It was found that these asymmetric tautomers of aminophosphine bind an excess electron to form stable anions. The vertical electron...
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