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Stereochemical and electronic structure of the free base, cation, and dication of porphin

โœ Scribed by V. Ya. Zayats; V. V. Lobanov; V. M. Pinchuk


Book ID
112367416
Publisher
Springer
Year
1988
Tongue
English
Weight
303 KB
Volume
24
Category
Article
ISSN
0040-5760

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## Abstract SAC (symmetry adapted cluster)/SACโ€CI and CASPT2 (multiconfigurational secondโ€order perturbation theory) electron excitation spectra of freeโ€base porphin and magnesiumโ€porphin were determined using basis set functions augmented by both the polarization and diffuse functionsโ€”6โ€31+G(d). S