A QM/MM and QM/QM/MM study of Kerr, Cotton–Mouton and Jones linear birefringences in liquid acetonitrile-Reference-Cited by-同舟云学术

A QM/MM and QM/QM/MM study of Kerr, Cotton–Mouton and Jones linear birefringences in liquid acetonitrile

Published:2018 Issue:5 Volume:20 Page:3831-3840
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Fahleson Tobias¹²³⁴⁵,Olsen Jógvan Magnus Haugaard⁶⁷⁸⁹¹⁰^ORCID,Norman Patrick¹²³⁴⁵^ORCID,Rizzo Antonio¹¹¹²¹³¹⁴¹⁵^ORCID

Affiliation:

1. Division of Theoretical Chemistry and Biology

2. School of Engineering Sciences in Chemistry

3. Biotechnology and Health

4. KTH Royal Institute of Technology

5. Stockholm

6. Department of Physics

7. Chemistry and Pharmacy

8. University of Southern Denmark

9. DK-5230 Odense M

10. Denmark

11. Consiglio Nazionale delle Ricerche – CNR

12. Istituto per i Processi Chimico-Fisici

13. CNR-IPCF

14. I-56124 Pisa

15. Italy

Abstract

QM/MM and QM/QM/MM protocols are applied to theab initiostudy of the three linear birefringences Kerr, Cotton–Mouton, and Jones, as shown by acetonitrile in the gas and pure liquid phases.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C7CP07421B

Reference56 articles.

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3. On the Jones birefringence

4. Selection rules for optical activity and linear birefringence bilinear in electric and magnetic fields

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