Calculation of the Term of Magnetic Circular Dichroism. A Time-Dependent Density Functional Theory Approach
Author:
Affiliation:
1. Department of Chemistry, University of Calgary, University Drive 2500, Calgary, AB T2N-1N4, Canada, and Department of Chemistry, State University of New York at Buffalo, 312 Natural Sciences Complex, Buffalo, New York 14260-3000
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct600283t
Reference58 articles.
1. Assignment of the intense UV bands in the solution electronic spectrum of tetracyanonickelate(2-). MCD spectra for the 3.7- and 5.0-.mu.m-1 bands
2. Calculation of the A term of magnetic circular dichroism based on time dependent-density functional theory I. Formulation and implementation
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