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Molecules
ab initio calculation
4
proton transport
4
unclassified drug
Ab initio calculations
2
Ab initio method
2
Anaerobic conditions
2
Aromatic alcohols
2
Aromatic compounds
2
Aromatic thiol
2
Article
2
Calculations
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Charge transfer
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Charge transfer state
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Electronic absorption
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Electronic spectrum
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Excited states
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Free radicals
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Hydrocarbon molecules
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Hydrocarbons
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Manganese
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Mechanistic analysis
2
Mn porphyrins
2
Naphthalene
2
Photofragments
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Polycyclic aromatic hydrocarbons
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Polycyclic aromatic hydrocarbons (PAHS)
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Potential sources
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Protonation
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Redox potentials
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2Materias: “...Ab initio calculations...”
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3Publicado 2017Materias: “...ab initio calculation...”
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4por Suarez, S.A., Muñoz, M., Alvarez, L., Venâncio, M.F., Rocha, W.R., Bikiel, D.E., Marti, M.A., Doctorovich, F.Materias: “...ab initio calculation...”
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