Browsing by Author Papayannis, D. K.

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Ab initio and RRKM calculations for the decomposition channels of CH3OBr and BrCH2OHPapayannis, D. K.; Drougas, E.; Kosmas, A. M.24-Nov-2015-
An ab initio dynamics study of the CH3Cl+OHreactionTzima, T. D.; Papayannis, D. K.; Melissas, V. S.24-Nov-2015-
Ab initio investigation of isomeric and conformeric structures of halogen nitrites, XONO (X = Cl, Br, I)Papayannis, D. K.; Kosmas, A. M.24-Nov-2015-
Computational characterisation of the charge-transfer and T-shaped molecular complexes of N-methyl imidazoline-2-thione and N-methyl imidazolidine-2-thione with the dihalogens Br(2) and I(2)Kosmas, A. M.; Papayannis, D. K.24-Nov-2015-
Computational characterisation of the charge-transfer and T-shaped molecular complexes of N-methyl imidazoline-2-thione and N-methyl imidazolidine-2-thione with the dihalogens Br-2 and I-2Kosmas, A. M.; Papayannis, D. K.24-Nov-2015-
A computational study of ethyl chloride conversion reactions catalyzed by acidic zeolitesPapayannis, D. K.; Kosmas, A. M.24-Nov-2015-
The conformational potential energy surface of IOONO and the isomerization and decomposition processesPapayannis, D. K.; Kosmas, A. M.24-Nov-2015-
Quantum mechanical and kinetic studies of the reaction of methyl radicals with chlorine moleculesDrougas, E.; Papayannis, D. K.; Kosmas, A. M.24-Nov-2015-
Quantum mechanical and kinetic studies of the reaction of methyl radicals with molecular bromineDrougas, E.; Papayannis, D. K.; Kosmas, A. M.24-Nov-2015-
Quantum mechanical and RRKM studies of the reactions CH3+ClO -> CH3O+Cl and CH3O+Cl -> HCHO+HClDrougas, E.; Papayannis, D. K.; Kosmas, A. M.24-Nov-2015-
Quantum mechanical characterization of (INO3) isomersPapayannis, D. K.; Kosmas, A. M.24-Nov-2015-
Quantum mechanical investigation of the charge transfer molecular complexes of methimazole with I-2, IBr and IClPapayannis, D. K.; Kosmas, A. M.24-Nov-2015-
Quantum mechanical studies of methyl bromoperoxide isomers and the CH3O+BrO reactionPapayannis, D. K.; Melissas, V. S.; Kosmas, A. M.24-Nov-2015-
Quantum mechanical studies on the BrO plus ClO reactionPapayannis, D. K.; Kosmas, A. M.; Melissas, V. S. R.24-Nov-2015-
A quantum mechanical study of IOX (X = Cl, Br, I) isomersPapayannis, D. K.; Melissas, V. S.; Kosmas, A. M.24-Nov-2015-
A quantum mechanical study of the structure, vibrational spectra and relative energetics of XOOI, XIO2 and XOIO (X = Cl, Br, I) isomersPapayannis, D. K.; Melissas, C. S.; Kosmas, A. M.24-Nov-2015-
Quasiclassical trajectory studies on the gas-phase BrO self-reactionPapayannis, D. K.; Kosmas, A. M.24-Nov-2015-
Structural and relative stability studies of (IClO3) and (IBrO3) polyoxidesPapayannis, D. K.; Kosmas, A. M.24-Nov-2015-
Structural and relative stability studies of IOOX peroxides (X = Cl, Br, I) and their isomersMelissas, V. S.; Papayannis, D. K.; Kosmas, A. M.24-Nov-2015-
Theoretical investigation of the mechanism of the reaction IO+NO -> I+NO2Papayannis, D. K.; Kosmas, A. M.24-Nov-2015-