Theoretical study of the microhydration of 1‐chloro and 2‐chloro ethanol as a clue for their relative propensity toward dehalogenation von Petsis, George, Salta, Zoi, Kosmas, Agnie Mylona, Ventura, Oscar N.

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S-OO bond dissociation energies and enthalpies of formation of the thiomethyl peroxyl radicals CH{sub 3}S(O){sub n}OO (n=0,1,2) von Salta, Zoi, Kosmas, Agnie Mylona, Lesar, Antonija

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Theoretical characterization of the reactions CH3XCH2O2+NO (X=O, S) von Kosmas, Agnie Mylona, Liaska, Stavroula, Lesar, Antonija

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Theoretical characterization of the reactions CH 3XCH 2O 2 + NO (X = O, S) von Kosmas, Agnie Mylona, Liaska, Stavroula, Lesar, Antonija

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S-OO bond dissociation energies and enthalpies of formation of the thiomethyl peroxyl radicals CH3S(O)nOO (n=0,1,2) von Salta Zoi, Mylona, Kosmas Agnie, Lesar Antonija

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Theoretical enthalpies of formation and structural characterisation of halogenated nitromethanes and isomeric halomethyl nitrites von Kosmas, Agnie Mylona, Ntivas, Aristeidis, Liaska, Stavroula, Papayannis, Demetrios K.

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A computational study of ethyl chloride conversion reactions catalyzed by acidic zeolites von Papayannis, Demetrios K., Kosmas, Agnie Mylona

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Theoretical investigation of halogen-oxygen bonding and its implications in halogen chemistry and reactivity von Kosmas, Agnie Mylona

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Computational Studies on Dihalogen Complexes of N-methyl Imidazoline-2-thione and N-methyl Imidazolidine-2-thione von Kosmas, Agnie Mylona, Papayannis, Demetrios K

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Quantum mechanical investigation of the charge transfer molecular complexes of methimazole with I2, IBr and ICl von Papayannis, Demetrios K., Kosmas, Agnie Mylona

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