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Academic Article
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One-electron standard reduction potentials of nitroaromatic and cyclic nitramine explosives.
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Academic Article
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Toward robust computational electrochemical predicting the environmental fate of organic pollutants.
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Academic Article
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Theoretical study of ionization and one-electron oxidation potentials of N-heterocyclic compounds.
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Academic Article
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From formamide to purine: an energetically viable mechanistic reaction pathway.
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Academic Article
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Structure and Redox Properties of 5-Amino-3-nitro-1H-1,2,4-triazole (ANTA) Adsorbed on a Silica Surface: A DFT M05 Computational Study.
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Academic Article
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Reduction of aflatoxin B1 to aflatoxicol: a comprehensive DFT study provides clues to its toxicity.
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Academic Article
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Are the reduction and oxidation properties of nitrocompounds dissolved in water different from those produced when adsorbed on a silica surface? A DFT M05-2X computational study.
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Academic Article
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Adsorption of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) on a soil organic matter. A DFT M05 computational study.
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Academic Article
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A quantum chemical based toxicity study of estimated reduction potential and hydrophobicity in series of nitroaromatic compounds.
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Academic Article
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Determination of redox potentials for the Watson-Crick base pairs, DNA nucleosides, and relevant nucleoside analogues.
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Academic Article
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Theoretical elucidation of conflicting experimental data on vertical ionization potentials of microhydrated thymine.
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Concept
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Oxidation-Reduction
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