Low-energy, doublet states of p-benzosemiquinone radical anion from SCF-CI and CASSCF calculations
Author:
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,General Engineering
Link
https://pubs.acs.org/doi/pdf/10.1021/j100110a013
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1. First-Principles Calculations of the Energy and Width of the 2Au Shape Resonance in p-Benzoquinone: A Gateway State for Electron Transfer;The Journal of Physical Chemistry Letters;2015-03-10
2. Vibronic spectra of the p-benzoquinone radical anion and cation: a matrix isolation and computational study;Phys. Chem. Chem. Phys.;2014
3. Effects of hydrogen bonding interactions on the redox potential and molecular vibrations of plastoquinone as studied using density functional theory calculations;Physical Chemistry Chemical Physics;2014
4. Excited and Ionized States of p-Benzoquinone and Its Anion Radical: SAC−CI Theoretical Study;The Journal of Physical Chemistry A;2002-03-19
5. Quinones and quinoidal radicals in photosynthesis;Theoretical and Computational Chemistry;2001
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