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Theoretical calculation of reorganization energy for electron self-exchange reaction by constrained density functional theory and constrained equilibrium thermodynamics.
J Phys Chem A. 2013 Aug 22;117(33):8017-25. doi: 10.1021/jp4046935. Epub 2013 Aug 13.
J Phys Chem A. 2013.
PMID: 23895675
Solvent effects on excitation energies obtained using the state-specific TD-DFT method with a polarizable continuum model based on constrained equilibrium thermodynamics.
Bi TJ, Xu LK, Wang F, Ming MJ, Li XY.
Bi TJ, et al. Among authors: ming mj.
Phys Chem Chem Phys. 2017 Dec 13;19(48):32242-32252. doi: 10.1039/c7cp05673g.
Phys Chem Chem Phys. 2017.
PMID: 29188829
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