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Theoretical studies of molecular ions. Vertical ionization potentials of the nitrogen molecule

✍ Scribed by Tsung-Tai Chen; Wesley D. Smith; Jack Simons

Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
486 KB
Volume
26
Category
Article
ISSN
0009-2614

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πŸ“œ SIMILAR VOLUMES

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✍ Wesley D. Smith; Tsung-Tai Chen; Jack Simons πŸ“‚ Article πŸ“… 1974 πŸ› Elsevier Science 🌐 English βš– 450 KB

The 'Z++'lTi vertical electron detachment energy of OH-is studied using a basis of twenty Slater-type orbitals in our equations-of-motion (EOM) theory of molecular electron affinities and ionization potenti&. Tbe delicate brdante between the contributions of orbital reor&nization effects and correla

Study of transition-state methods in the
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✍ Patrick Duffy; Delano P. Chong πŸ“‚ Article πŸ“… 1993 πŸ› John Wiley and Sons 🌐 English βš– 428 KB

The vertical ionization potentials of nine small molecules were computed by the deMon density functional program and different versions of the transition-state method and the results were compared with earlier calculations and with experiment. The average absolute deviation of the 38 computed ioniza