First-Principle Protocol for Calculating Ionization Energies and Redox Potentials of Solvated Molecules and Ions: Theory and Application to Aqueous Phenol and Phenolate. Ghosh, D., Roy, A., Seidel, R., Winter, B., Bradforth, S., & Krylov, A. I. Journal of Physical Chemistry B, 116(24):7269-7280, 2012. bibtex @article{RID:102315012832-88,
title = {First-Principle Protocol for Calculating Ionization Energies and Redox Potentials of Solvated Molecules and Ions: Theory and Application to Aqueous Phenol and Phenolate},
journal = {Journal of Physical Chemistry B},
year = {2012},
author = {Ghosh, Debashree and Roy, Anirban and Seidel, Robert and Winter, Bernd and Bradforth, Stephen and Krylov, Anna I.},
volume = {116},
number = {24},
pages = {7269-7280}
}
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