Electronic Excitations in Pyrrole: A Test Case for Determination of Chromophores in the Chromogenic Effects of Neurotoxic Hydrocarbons by Time-Dependent Density Functional Theory and Single-Excitation Configuration Interaction Methods

Author: Zhan C-G.   Dixon D.A.  

Publisher: Academic Press

ISSN: 0022-2852

Source: Journal of Molecular Spectroscopy, Vol.216, Iss.1, 2002-11, pp. : 81-89

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