Magnetic Circular Dichroism of Porphyrins Containing M = Ca, Ni, and Zn. A Computational Study Based on Time-Dependent Density Functional Theory
Author:
Affiliation:
1. Department of Chemistry, University of Calgary, University Drive 2500, Calgary, Alberta, Canada
Publisher
American Chemical Society (ACS)
Subject
Inorganic Chemistry,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ic7008545
Reference89 articles.
1. Numerical integration for polyatomic systems
2. Calculation of the A term of magnetic circular dichroism based on time dependent-density functional theory I. Formulation and implementation
3. Ab initiocalculation of the C∕D ratio of magnetic circular dichroism
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