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Vertical ionization potentials of radicals by the MINDo/3 method

✍ Scribed by Michael J. S. Dewar; Herbert W. Kollmar; Sung Ho Suck

Publisher
Springer
Year
1975
Tongue
English
Weight
168 KB
Volume
36
Category
Article
ISSN
1432-2234

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πŸ“œ SIMILAR VOLUMES

Vertical ionization potential of the CF2
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The CF2 radical was gene&ted in an equilibrium effusion cell by tke react&m of gaseous SF6 with carbon at~l550 K. From electron impact threshold measuxm~nts, the vertiai i[P of CFZ was found to be 11.5'4 c 0.10 eV. This vaIue is

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Green-function method is empXoyed, within the framework of the CNDU approu-imation to the zero-order wavefunction, to c!dculate the photoelectron spectrum of the CF4 and SiF4 molecules, The agreement between theoretical and euperimental ionization potentials is quite good aitd a sensible ~prove~ent