Dissociative electron transfer in polychlorinated aromatics. Reduction potentials from convolution analysis and quantum chemical calculations-Reference-Cited by-同舟云学术

Dissociative electron transfer in polychlorinated aromatics. Reduction potentials from convolution analysis and quantum chemical calculations

Published:2016 Issue:32 Volume:18 Page:22573-22582
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Romańczyk Piotr P.¹²³⁴,Rotko Grzegorz¹²³⁴,Kurek Stefan S.¹²³⁴

Affiliation:

1. Faculty of Chemical Engineering and Technology

2. Cracow University of Technology

3. 31–155 Kraków

4. Poland

Abstract

The combination of convolution analysis and quantum-chemical calculations at DFT and CCSD(T)-F12 levels allows the determination of standard redox potentials and the mechanism type of dissociative ET in environmentally relevant polychlorinated benzenes.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C6CP02222G

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