Superior Performance of Range-Separated Hybrid Functionals for Describing σ* ← σ UV–Vis Signatures of Three-Electron Two-Center Anions-Reference-Cited by-同舟云学术

Superior Performance of Range-Separated Hybrid Functionals for Describing σ* ← σ UV–Vis Signatures of Three-Electron Two-Center Anions

Published:2012-03-14 Issue:12 Volume:116 Page:3237-3246
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Dupont Céline¹,Dumont Élise¹,Jacquemin Denis²

Affiliation:

1. Université de Lyon, Institut de Chimie de Lyon, CNRS, Ecole normale supérieure de Lyon, 46 allée d’Italie, 69364 Lyon Cedex 07, France

2. Chimie Et Interdisciplinarité, Synthèse, Analyse, Modélisation (CEISAM), UMR CNRS 6230, Facultés des Sciences et Techniques, BP92208, Université de Nantes, 2, rue de la Houssinière, 44322 Nantes Cedex 3, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp211875r

Reference50 articles.

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2. The Formation and Reactions of Disulfide Radical Anions in Aqueous Solution

3. Relay Stations for Electron Hole Migration in Peptides: Possibility for Formation of Three-Electron Bonds along Peptide Chains

4. Electron Transport through Cyclic Disulfide Molecular Junctions with Two Different Adsorption States at the Contact: A Density Functional Theory Study

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