Publication
Chemical Physics Letters
Paper

SCF LCAO MO calculation for MnO-4

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Abstract

Ab initio SCF LCAO MO calculations, using gaussian-type functions and large basis sets with near Hartree-Fock accuracy, have been carried out for the ground state of the permanganate ion. The largest calculation performed applied 203 primitive gaussians. © 1972.

Date

15 Dec 1972

Publication

Chemical Physics Letters

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