Gauge-Origin-Independent Coupled Cluster Singles and Doubles Calculation of Magnetic Circular Dichroism of Azabenzenes and Phosphabenzene Using London Orbitals-Reference-Cited by-同舟云学术

Gauge-Origin-Independent Coupled Cluster Singles and Doubles Calculation of Magnetic Circular Dichroism of Azabenzenes and Phosphabenzene Using London Orbitals

Published:2007-05-23 Issue:44 Volume:111 Page:11278-11286
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Kjærgaard Thomas¹,Jansík Branislav¹,Jørgensen Poul¹,Coriani Sonia²,Michl Josef³

Affiliation:

1. Lundbeck Foundation Center for Theoretical Chemistry, Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Århus C, Denmark

2. Dipartimento di Scienze Chimiche, Università degli Studi di Trieste, Via Licio Giorgieri 1, I-34127 Trieste, Italy

3. Department of Chemistry and Biochemistry, University of Colorado, Boulder, Colorado, 80309-0215

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp071726l

Reference60 articles.

1. I. Experimental researches in electricity.—Nineteenth series

2. Magnetic Optical Activity

3. An electronic Hamiltonian for origin independent calculations of magnetic properties

4. Théorie quantique des courants interatomiques dans les combinaisons aromatiques

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