Browsing by Author E. Drougas,

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Showing results 1 to 14 of 14
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Ab initio and RRKM calculations for the decomposition channels of CH3OBr and BrCH2OHD.K. Papayannis,; E. Drougas,; Agnie M. Kosmas24-Nov-2015-
Ab initio molecular orbital and RRKM calculations of the thermal decomposition of CH2BrO radicalE. Drougas,; Agnie M. Kosmas24-Nov-2015-
Ab initio study of the structure of aniline in the S1 and S2 ππ* statesE. Drougas,; J. Philis,; Agnie M. Kosmas24-Nov-2015-
Computational investigation of isomeric and conformeric structures of methyl iodoperoxideE. Drougas,; Agnie M. Kosmas24-Nov-2015-
Computational studies on the thermal decomposition and isomerization of CHBr2O radicalE. Drougas,; Agnie M. Kosmas24-Nov-2015-
Dynamics of the OH + Cl2 -> HOCl +Cl reaction: Ab Initio investigation and QCT calculations of reaction selectivityV.S. Melissas,; E. Drougas,; E.G. Bakalbassis,; Agnie M. Kosmas24-Nov-2015-
Quantum mechanical analysis of decomposition pathways of chloromethyl hypochloriteF. Anagnostou,; E. Drougas,; Agnie M. Kosmas24-Nov-2015-
Quantum mechanical and kinetic studies of the reaction of methyl radicals with molecular bromineE. Drougas,; D.K. Papayannis,; Agnie M. Kosmas24-Nov-2015-
Quantum Mechanical Investigation of the Atmospheric Reaction CH3O2 + NOA. Lesar,; M. Hodosceck,; E. Drougas,; Agnie M. Kosmas24-Nov-2015-
Quantum Mechanical studies of CH3ClO3 isomers and the CH3O2 + OCl reaction pathwaysE. Drougas,; A. Jalbout,; Agnie M. Kosmas24-Nov-2015-
Quantum Mechanical Studies of Isomeric and Conformeric Structures of Methyl-Chloro-PeroxideE. Drougas,; Agnie M. Kosmas24-Nov-2015-
Quantum mechanical studies on the potential energy surface of the reactions CH3+OClO, CH3O+ClO and CH3O2+ClE. Drougas,; Agnie M. Kosmas24-Nov-2015-
Synthesis, Structural Characterization, and Computational Studies of Novel Diiodine Adducts with the Heterocyclic Thioamides N-Methylbenzothiazole-2-thione and Benzimidazole-2-thione:"‰ Implications with the Mechanism of Action of Antithyroid DrugsG.J. Corban,; S.K. Hadjikakou,; N. Hadjiliadis,; M. Kubicki,; E.R.t. Ticknik,; I.S. Butler,; E. Drougas,; Agnie M. Kosmas24-Nov-2015-
Theoretical study of the homologous reactions of ground state oxygen atoms with Br2 and BrCl moleculesE. Drougas,; Agnie M. Kosmas24-Nov-2015-