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Study of Electronic Spectra of Free-Base Porphin and Mg-Porphin: Comprehensive Comparison of Variety of Ab Initio, DFT, and Semiempirical Methods

Publication at Faculty of Mathematics and Physics, Central Library of Charles University |
2005

Abstract

Study of Electronic Spectra of Free-Base Porphin and Mg-Porphin: Comprehensive Comparison of Variety of Ab Initio, DFT, and Semiempirical Methods