Electronic circular dichroism spectra using the algebraic diagrammatic construction schemes of the polarization propagator up to third order-Reference-Cited by-同舟云学术

Electronic circular dichroism spectra using the algebraic diagrammatic construction schemes of the polarization propagator up to third order

Published:2021-02-14 Issue:6 Volume:154 Page:064107
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Scott Mikael¹,Rehn Dirk R.¹^ORCID,Coriani Sonia²^ORCID,Norman Patrick³^ORCID,Dreuw Andreas¹^ORCID

Affiliation:

1. Interdisciplinary Center for Scientific Computing, Ruprecht-Karls University, Im Neuenheimer Feld 205, 69120 Heidelberg, Germany

2. DTU Chemistry, Technical University of Denmark, Kemitorvet Bldg. 207, DK-2800 Kongens Lyngby, Denmark

3. Department of Theoretical Chemistry and Biology, School of Engineering Sciences in Chemistry, Biotechnology and Health, KTH Royal Institute of Technology, SE-106 91 Stockholm, Sweden

Funder

European Commission

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0038315

Reference99 articles.

1. Molecular Light Scattering and Optical Activity

2. Circular dichroism in drug discovery and development: an abridged review

3. Induced circular dichroism by chiral molecular interaction

4. Circular dichroism of naphthyltetrahydroisoquinoline alkaloids: calculation of CD spectra by semiempirical methods

5. Circular dichroism of helical structures using semiempirical methods

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