Calculation of the Term of Magnetic Circular Dichroism. A Time-Dependent Density Functional Theory Approach-Reference-Cited by-同舟云学术

Calculation of the Term of Magnetic Circular Dichroism. A Time-Dependent Density Functional Theory Approach

Published:2006-12-24 Issue:2 Volume:3 Page:434-447
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Seth Michael¹,Autschbach Jochen¹,Ziegler Tom¹

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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