Browsing by Author Kosmas, A. M.

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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-
Ab initio calculations for (BrO)(2) system and quasiclassical dynamics study of BrO self-reactionPapayannis, D.; Kosmas, A. M.; 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-
Ab initio study of the structure of aniline in the S-1 and S-2 pi pi statesDrougas, E.; Philis, J. G.; Kosmas, A. M.24-Nov-2015-
Adsorption of a Free Polymer-Chain Interacting with an InterfaceStratouras, G.; Kosmas, A. M.; Kosmas, M. K.24-Nov-2015-
The average cos ΞΈ approach to the theoretical calculation of thermal energy ion-dipolar molecule reaction rate constantKosmas, 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-
Dynamics of the OH+Cl-2 -> HOCl+Cl reaction: Ab initio investigation and quasiclassical trajectory calculations of reaction selectivityMelissas, V. S.; Drougas, E.; Bakalbassis, E. G.; Kosmas, A. M.24-Nov-2015-
Hydrolysis by phospholipase D of phospholipids in solution state or adsorbed on a silica matrixPantazi, D.; Drougas, E.; Loppinet, B.; Tellis, C.; Kosmas, A. M.; Lekka, M. E.24-Nov-2015-
The (L-b)S-1 <- S-0 transition of phenylpropyne and phenylacetylene: an experimental and ab initio studyPhilis, J. G.; Drougas, E.; Kosmas, A. M.24-Nov-2015-
On the 2nd Virial-Coefficients of Polymers of Various ArchitecturesKosmas, M. K.; Kosmas, A. M.24-Nov-2015-
On the Transition to the Power-Law Dependence of Stiff and Flexible MacromoleculesKosmas, M. 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-