Croatica Chemica Acta, Vol. 57 No. 6, 1984.
Original scientific paper
A Comparison of Pencil and Paper Procedures. PMO, Free · Electron PMO, and Structure-Resonance Theory Calculations for Proton Affinities
Laszlo v. Szentpaly
; Institut fur Theoretische Chemie, Universitat Stuttgart, Pfaffenwadring 55, 7000 Stuttgart 80, West Germany
Abstract
Pencil and paper quantum chemical procedures are applied
to correlations of electrophilic substitution and proton affinity data.
The data are also compared with other types of MO calculations,
including SCF results, and simplified methods are found to give
as satisfactory correlation as the more complex procedures.
Keywords
Hrčak ID:
194046
URI
Publication date:
21.5.1985.
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